BDBM50387844 CHEMBL2057790

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NCCCn3ccnc3)oc2c1

InChI Key: InChIKey=UHNGMTOQQDUDOW-URLMMPGGSA-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 = 50387844   

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))	BDBM50387844 (CHEMBL2057790) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NCCCn3ccnc3)oc2c1 |r| Show InChI InChI=1S/C33H39N7O5S/c1-23(2)18-40(19-29(41)28(15-24-7-4-3-5-8-24)38-33(43)44-20-26-17-35-22-46-26)31(42)25-9-10-27-30(16-25)45-32(37-27)36-11-6-13-39-14-12-34-21-39/h3-5,7-10,12,14,16-17,21-23,28-29,41H,6,11,13,15,18-20H2,1-2H3,(H,36,37)(H,38,43)/t28-,29+/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