BDBM50355079 CHEMBL1834613

SMILES: O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccc(cc1)-n1nc(-c2ccccc2)c2ccccc2c1=O

InChI Key: InChIKey=JCSQMRVGUMFDNY-UUWRZZSWSA-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 = 50355079   

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
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50355079 (CHEMBL1834613) Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1ccc(cc1)-n1nc(-c2ccccc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C37H36N4O2/c42-36(38-34-15-9-12-29-24-26(16-21-31(29)34)25-40-22-7-2-8-23-40)28-17-19-30(20-18-28)41-37(43)33-14-6-5-13-32(33)35(39-41)27-10-3-1-4-11-27/h1,3-6,10-11,13-14,16-21,24,34H,2,7-9,12,15,22-23,25H2,(H,38,42)/t34-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	418	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human B1 receptor				J Med Chem 54: 7232-46 (2011) Article DOI: 10.1021/jm200808v BindingDB Entry DOI: 10.7270/Q28C9WP1
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