Submission Details
Molecule(s):
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)c1
N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1
O=C(NCc1cccnc1-n1ccnc1)C1CCOc2ccccc21
Cc1c(C(=O)CCl)c2ccccn2c1C(=O)c1ccc(F)cc1
O=C(CCl)N1N=C(c2ccc3ccccc3c2)CC1c1ccccc1
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CSc1nc2ccccc2o1
CSC1=C(C#N)C2(CCCCC2)C(C#N)=C(NC(=O)CCl)N1
O=C(CCC1Cc2ccccc2NC1=O)NCc1cccnc1-n1ccnc1
TAT-ENA-80bfd3e5-9
Duplicate of:
NIM-UNI-13494739-4
COc1cc(C2CC(c3cccs3)=NN2C(=O)CCl)ccc1OC(F)F
N#Cc1cccc(NC2CCN(C(=O)CCl)C2)c1
O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1
O=C1CC(C(=O)NCCCn2cnc3ccccc32)c2ccc(F)cc2N1
TAT-ENA-80bfd3e5-13
Duplicate of:
AAR-POS-d2a4d1df-30
O=C(CCl)N1CCCC(c2nc3ccccc3s2)C1
O=C(O)CNCC1CCCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)C1
O=C(CCl)N1N=C(c2cc3ccccc3o2)CC1c1ccco1
COc1ccc(C2C(O)C(c3c[nH]c4ccccc34)=NN2C(=O)CCl)cc1
TAT-ENA-80bfd3e5-17
Duplicate of:
NIM-UNI-13494739-7
COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)CCl)cc1
Cc1ccccc1S(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)O)C(c2ccco2)C1
O=C(CCn1cnc2ccccc21)Nc1cccc2ncccc12
TAT-ENA-80bfd3e5-20
Duplicate of:
AAR-POS-d2a4d1df-41
Cc1ccccc1CN1CCCN(C(=O)CCl)CC1
CCn1cc(S(=O)(=O)Nc2cccnc2-n2cccn2)nc1C
CC(=O)N1Cc2ccccc2CC1C(=O)Nc1nc(C)ccc1O
O=C(Nc1ccccc1)NN(C(=O)CCl)c1ccccc1
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CCl)c2C)c1
TAT-ENA-80bfd3e5-25
Duplicate of:
MAK-UNK-7c9d1431-4
O=C(CCl)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1
N#CC(C(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)=C1Nc2ccccc2N1
Cc1cc(C(=O)CCl)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1
O=C(CN(Cc1ccco1)C(=O)CCl)Nc1ccccc1C(F)(F)F
O=C(CSc1nc2cc(Cl)cnc2[nH]1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCl)CC1
COc1ccc(S(=O)(=O)N/N=C/c2ccc(OC(=O)Nc3ccccc3)c(OC)c2)cc1
Cc1cc(C(=O)CCl)c(C)n1CC1COc2ccccc2O1
O=C(Nn1cnc2ccccc21)c1oc2ccccc2c1CSc1nnc[nH]1
CN(Cc1ccccc1N1CCOCC1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCl)c1
Cc1cc(C(=O)CCl)c(C)n1NC(=O)c1n[nH]c(=O)c2ccccc12
CCCCSC(C)C(=O)Nc1ccc(C(N)=O)cc1-n1ccnc1
O=C(O)c1ccccc1NS(=O)(=O)c1ccc(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c([N+](=O)[O-])c1
CC(CNC(=O)CC(O)(c1nccn1C)C(F)(F)F)c1ccccc1
CSCCC(NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1
CN(CC(=O)Nc1ccccc1Br)C(=O)CCl
TAT-ENA-80bfd3e5-43
Duplicate of:
MAK-UNK-7c9d1431-11
CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1
CCc1ccc2c(COC(=O)c3cccc(NS(=O)(=O)/C=C/c4ccccc4)c3)cc(=O)oc2c1
CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCl)C(c3ccccc3)C2)c1
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1
CC(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnc2ccccn12
O=C1/C(=C\c2cc(F)ccc2F)SC(=S)N1c1cccnc1
O=C(NNC(=S)Nc1ccc(F)cc1F)C1CC(O)CN1S(=O)(=O)c1ccc2c(c1)OCCO2
Design Rationale:
50 compounds that showed > 50% inhibition at 20 uM of molecules sent by Enamine's Computational+Med-Chem Team to Weizmann for fluorescence assay. To be confirmed by IC50
Other Notes:
submitted to system by Matt form PostEra on behalf of London Lab and Enamine