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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50085685'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
B2 bradykinin receptor


(RAT)		BDBM50085685
PNG
(4-benzhydrylamino(thioxo)methylhydrazine-3-nitrobe...)
Show SMILES NC(=O)c1ccc(N[N-]C(=[SH+])NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19N5O3S/c22-20(27)16-11-12-17(18(13-16)26(28)29)24-25-21(30)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H5,22,23,24,25,27,30)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
 1.80n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes

J Med Chem 43: 769-71 (2000)


BindingDB Entry DOI: 10.7270/Q2XD10W5
More data for this
Ligand-Target Pair