BDBM50111011 CHEMBL3604717

SMILES: Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1

InChI Key: InChIKey=WWQZYHBACWHPRN-UHFFFAOYSA-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 = 50111011   

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))	BDBM50111011 (CHEMBL3604717) Show SMILES Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-10-8-15(22-9-11-4-2-7-14(19)16(11)20)12-5-3-6-13(18(21)24)17(12)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 58: 7021-56 (2015) BindingDB Entry DOI: 10.7270/Q2542QCX
					More data for this Ligand-Target Pair
Lymphocyte differentiation antigen CD38 (Homo sapiens (Human))	BDBM50111011 (CHEMBL3604717) Show SMILES Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-10-8-15(22-9-11-4-2-7-14(19)16(11)20)12-5-3-6-13(18(21)24)17(12)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay				J Med Chem 58: 7021-56 (2015) BindingDB Entry DOI: 10.7270/Q2542QCX
					More data for this Ligand-Target Pair