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SMILES: Cc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1

InChI Key: InChIKey=ZLSZDEARRQRWGO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50110922   

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))	BDBM50110922 (CHEMBL3604722) Show SMILES Cc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-10-8-16(22-9-13-14(19)6-3-7-15(13)20)11-4-2-5-12(18(21)24)17(11)23-10/h2-8H,9H2,1H3,(H2,21,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.94E+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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50110922 (CHEMBL3604722) Show SMILES Cc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C18H15Cl2N3O/c1-10-8-16(22-9-13-14(19)6-3-7-15(13)20)11-4-2-5-12(18(21)24)17(11)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	PubMed	n/a	n/a	990	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