BDBM151191 US8987313, 25

SMILES: CC(C)c1nc(CN(C)C(=O)N2CCN(C)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1

InChI Key: InChIKey=MGUFMPBNVRJNSL-PSUXHBTPSA-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 = 151191   

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))	BDBM151191 (US8987313, 25) Show SMILES CC(C)c1nc(CN(C)C(=O)N2CCN(C)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C38H49N7O4S2/c1-27(2)36-41-32(25-50-36)22-44(4)38(48)45-18-17-43(3)23-34(45)35(46)40-30(19-28-11-7-5-8-12-28)15-16-31(20-29-13-9-6-10-14-29)42-37(47)49-24-33-21-39-26-51-33/h5-14,21,25-27,30-31,34H,15-20,22-24H2,1-4H3,(H,40,46)(H,42,47)/t30-,31-,34+/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	300	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))	BDBM151191 (US8987313, 25) Show SMILES CC(C)c1nc(CN(C)C(=O)N2CCN(C)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C38H49N7O4S2/c1-27(2)36-41-32(25-50-36)22-44(4)38(48)45-18-17-43(3)23-34(45)35(46)40-30(19-28-11-7-5-8-12-28)15-16-31(20-29-13-9-6-10-14-29)42-37(47)49-24-33-21-39-26-51-33/h5-14,21,25-27,30-31,34H,15-20,22-24H2,1-4H3,(H,40,46)(H,42,47)/t30-,31-,34+/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	140	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