BDBM50387848 CHEMBL2059120

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N1CCOCC1

InChI Key: InChIKey=YJLFMPGHIVLBOD-RRPNLBNLSA-N

Data: 1 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 1 hit for monomerid = 50387848   

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))	BDBM50387848 (CHEMBL2059120) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N1CCOCC1 |r| Show InChI InChI=1S/C31H37N5O6S/c1-21(2)17-36(29(38)23-8-9-25-28(15-23)42-30(33-25)35-10-12-40-13-11-35)18-27(37)26(14-22-6-4-3-5-7-22)34-31(39)41-19-24-16-32-20-43-24/h3-9,15-16,20-21,26-27,37H,10-14,17-19H2,1-2H3,(H,34,39)/t26-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by LC/MS/MS analysis				Bioorg Med Chem Lett 22: 4998-5002 (2012) Article DOI: 10.1016/j.bmcl.2012.06.022 BindingDB Entry DOI: 10.7270/Q22Z16KC
					More data for this Ligand-Target Pair