BDBM50387843 CHEMBL2058910

SMILES: CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1

InChI Key: InChIKey=RGTBBKSFLZZHLT-IZZNHLLZSA-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 = 50387843   

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))	BDBM50387843 (CHEMBL2058910) Show SMILES CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r| Show InChI InChI=1S/C30H37N5O5S/c1-5-34(4)29-32-24-12-11-22(14-27(24)40-29)28(37)35(16-20(2)3)17-26(36)25(13-21-9-7-6-8-10-21)33-30(38)39-18-23-15-31-19-41-23/h6-12,14-15,19-20,25-26,36H,5,13,16-18H2,1-4H3,(H,33,38)/t25-,26+/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	31	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