BDBM50241711 CHEMBL4061003

SMILES: COc1cccc(NC(=O)c2cc(ccc2Cl)-c2ccc(\C=C3\C(C)=NN(C3=O)c3ccc(cc3)C(O)=O)o2)c1

InChI Key: InChIKey=FOVARFDBHYNANY-JLPGSUDCSA-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 = 50241711   

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
DNA repair protein complementing XP-A cells (Homo sapiens)	BDBM50241711 (CHEMBL4061003) Show SMILES COc1cccc(NC(=O)c2cc(ccc2Cl)-c2ccc(\C=C3\C(C)=NN(C3=O)c3ccc(cc3)C(O)=O)o2)c1 |c:25| Show InChI InChI=1S/C30H22ClN3O6/c1-17-24(29(36)34(33-17)21-9-6-18(7-10-21)30(37)38)16-23-11-13-27(40-23)19-8-12-26(31)25(14-19)28(35)32-20-4-3-5-22(15-20)39-2/h3-16H,1-2H3,(H,32,35)(H,37,38)/b24-16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 60: 8055-8070 (2017) Article DOI: 10.1021/acs.jmedchem.7b00780 BindingDB Entry DOI: 10.7270/Q2FF3VJS
					More data for this Ligand-Target Pair