BDBM151193 US8987313, 32

SMILES: CC(C)c1nc(CN(C)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)N2CCOCC2)cs1

InChI Key: InChIKey=CZSVRXPBPZIVEN-WSQFZFBESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 151193   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151193 (US8987313, 32) Show SMILES CC(C)c1nc(CN(C)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)N2CCOCC2)cs1 |r| Show InChI InChI=1S/C41H53N7O5S2/c1-29(2)39-44-34(27-54-39)24-46(3)41(51)48-25-35(47-16-18-52-19-17-47)22-37(48)38(49)43-32(20-30-10-6-4-7-11-30)14-15-33(21-31-12-8-5-9-13-31)45-40(50)53-26-36-23-42-28-55-36/h4-13,23,27-29,32-33,35,37H,14-22,24-26H2,1-3H3,(H,43,49)(H,45,50)/t32-,33-,35+,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	37
Gilead Sciences, Inc. US Patent					Assay Description The potencies of the compounds as inhibitors of human hepatic cytochromes P450 of the CYP3A subfamily (particularly CYP3A4) were assessed using well-...				US Patent US8987313 (2015) BindingDB Entry DOI: 10.7270/Q20P0XRJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151193 (US8987313, 32) Show SMILES CC(C)c1nc(CN(C)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)N2CCOCC2)cs1 |r| Show InChI InChI=1S/C41H53N7O5S2/c1-29(2)39-44-34(27-54-39)24-46(3)41(51)48-25-35(47-16-18-52-19-17-47)22-37(48)38(49)43-32(20-30-10-6-4-7-11-30)14-15-33(21-31-12-8-5-9-13-31)45-40(50)53-26-36-23-42-28-55-36/h4-13,23,27-29,32-33,35,37H,14-22,24-26H2,1-3H3,(H,43,49)(H,45,50)/t32-,33-,35+,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	37
Gilead Sciences, Inc. US Patent					Assay Description The potencies of the compounds as inhibitors of human hepatic cytochromes P450 of the CYP3A subfamily (particularly CYP3A4) were assessed using well-...				US Patent US8987313 (2015) BindingDB Entry DOI: 10.7270/Q20P0XRJ
					More data for this Ligand-Target Pair