BDBM151201 US8987313, 31

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)N(C)C)cs1

InChI Key: InChIKey=KSIVSAIIPBDCII-LKMBZGFLSA-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 = 151201   

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))	BDBM151201 (US8987313, 31) 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)N(C)C)cs1 |r| Show InChI InChI=1S/C39H51N7O4S2/c1-27(2)37-42-32(25-51-37)22-45(5)39(49)46-23-33(44(3)4)20-35(46)36(47)41-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)43-38(48)50-24-34-21-40-26-52-34/h6-15,21,25-27,30-31,33,35H,16-20,22-24H2,1-5H3,(H,41,47)(H,43,48)/t30-,31-,33+,35+/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	330	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))	BDBM151201 (US8987313, 31) 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)N(C)C)cs1 |r| Show InChI InChI=1S/C39H51N7O4S2/c1-27(2)37-42-32(25-51-37)22-45(5)39(49)46-23-33(44(3)4)20-35(46)36(47)41-30(18-28-12-8-6-9-13-28)16-17-31(19-29-14-10-7-11-15-29)43-38(48)50-24-34-21-40-26-52-34/h6-15,21,25-27,30-31,33,35H,16-20,22-24H2,1-5H3,(H,41,47)(H,43,48)/t30-,31-,33+,35+/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	150	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