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BDBM50169824 1-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-phenyl)-1H-pyrrole-2-carboxylic acid methyl ester::CHEMBL360500

SMILES: COC(=O)c1cccn1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1

InChI Key: InChIKey=CMXQYCQYBLATBT-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50169824   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50169824
PNG
(1-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-...)
Show SMILES COC(=O)c1cccn1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1
Show InChI InChI=1S/C22H21N5O3/c1-15-10-12-24-21(20(15)26-19(28)9-11-23)25-14-16-5-7-17(8-6-16)27-13-3-4-18(27)22(29)30-2/h3-8,10,12-13H,9,14H2,1-2H3,(H,24,25)(H,26,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Binding affinity against Human bradykinin receptor B1


Bioorg Med Chem Lett 15: 3925-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.133
BindingDB Entry DOI: 10.7270/Q2NC60Q0
More data for this
Ligand-Target Pair