BDBM50126228 2-[5-(4-Cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-ethyl-acetamide::CHEMBL27530

SMILES: CCN(C(=O)Cc1ccc(C(=O)c2ccc(cc2)C#N)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl

InChI Key: InChIKey=IBLJYNBYCKQNJF-UHFFFAOYSA-N

Data: 1 KI

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 = 50126228   

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
BDKRB2 (Homo sapiens (Human))	BDBM50126228 (2-[5-(4-Cyano-benzoyl)-1-methyl-1H-pyrrol-2-yl]-N-...) Show SMILES CCN(C(=O)Cc1ccc(C(=O)c2ccc(cc2)C#N)n1C)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl Show InChI InChI=1S/C34H28Cl2N4O3/c1-4-40(31(41)18-25-14-16-29(39(25)3)34(42)24-12-9-22(19-37)10-13-24)28-17-15-27(35)26(32(28)36)20-43-30-7-5-6-23-11-8-21(2)38-33(23)30/h5-17H,4,18,20H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human bradykinin receptor B2				Bioorg Med Chem Lett 13: 1341-4 (2003) BindingDB Entry DOI: 10.7270/Q2HM57T1
					More data for this Ligand-Target Pair