BDBM151185 US8987313, 5

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

InChI Key: InChIKey=WAWNWRVGWKZVLT-HYHVOXATSA-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 = 151185   

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))	BDBM151185 (US8987313, 5) Show SMILES CC(C)c1nc(CN(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C37H46N6O5S2/c1-25(2)35-40-30(23-49-35)20-42(3)37(47)43-21-31(44)18-33(43)34(45)39-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)41-36(46)48-22-32-19-38-24-50-32/h4-13,19,23-25,28-29,31,33,44H,14-18,20-22H2,1-3H3,(H,39,45)(H,41,46)/t28-,29-,31-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	230	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))	BDBM151185 (US8987313, 5) Show SMILES CC(C)c1nc(CN(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C37H46N6O5S2/c1-25(2)35-40-30(23-49-35)20-42(3)37(47)43-21-31(44)18-33(43)34(45)39-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)41-36(46)48-22-32-19-38-24-50-32/h4-13,19,23-25,28-29,31,33,44H,14-18,20-22H2,1-3H3,(H,39,45)(H,41,46)/t28-,29-,31-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	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