null

SMILES: CC(C)c1nc(CN(C)C(=O)N2CS(=O)(=O)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1

InChI Key: InChIKey=VLNZCNIBUVLVDW-PUCLRWMGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 151189   

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))	BDBM151189 (US8987313, 18) Show SMILES CC(C)c1nc(CN(C)C(=O)N2CS(=O)(=O)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C36H44N6O6S3/c1-25(2)34-39-30(21-49-34)19-41(3)36(45)42-24-51(46,47)22-32(42)33(43)38-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)40-35(44)48-20-31-18-37-23-50-31/h4-13,18,21,23,25,28-29,32H,14-17,19-20,22,24H2,1-3H3,(H,38,43)(H,40,44)/t28-,29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	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))	BDBM151189 (US8987313, 18) Show SMILES CC(C)c1nc(CN(C)C(=O)N2CS(=O)(=O)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C36H44N6O6S3/c1-25(2)34-39-30(21-49-34)19-41(3)36(45)42-24-51(46,47)22-32(42)33(43)38-28(16-26-10-6-4-7-11-26)14-15-29(17-27-12-8-5-9-13-27)40-35(44)48-20-31-18-37-23-50-31/h4-13,18,21,23,25,28-29,32H,14-17,19-20,22,24H2,1-3H3,(H,38,43)(H,40,44)/t28-,29-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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