BDBM50126251 2-[5-(4-Cyano-benzoyl)-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide::CHEMBL281951

SMILES: CN(C(=O)Cc1ccc([nH]1)C(=O)c1ccc(cc1)C#N)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl

InChI Key: InChIKey=XFTJDGAYMRFSDJ-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 = 50126251   

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))	BDBM50126251 (2-[5-(4-Cyano-benzoyl)-1H-pyrrol-2-yl]-N-[2,4-dich...) Show SMILES CN(C(=O)Cc1ccc([nH]1)C(=O)c1ccc(cc1)C#N)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl Show InChI InChI=1S/C32H24Cl2N4O3/c1-19-6-9-21-4-3-5-28(31(21)36-19)41-18-24-25(33)13-15-27(30(24)34)38(2)29(39)16-23-12-14-26(37-23)32(40)22-10-7-20(17-35)8-11-22/h3-15,37H,16,18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	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