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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 = 'BDBM50408044'   
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)		BDBM50408044
PNG
(CHEMBL3038104)
Show SMILES [#7]-[#6](-[#7])-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C52H79N15O12S/c53-35(15-6-18-58-51(54)55)44(73)62-36(16-7-19-59-52(56)57)47(76)64-20-8-17-39(64)49(78)67-27-33(69)23-40(67)46(75)60-25-42(70)61-37(24-34-14-9-21-80-34)45(74)63-38(29-68)48(77)66-26-31-11-5-4-10-30(31)22-41(66)50(79)65(28-43(71)72)32-12-2-1-3-13-32/h4-5,9-11,14,21,32-33,35-41,52,59,68-69H,1-3,6-8,12-13,15-20,22-29,53,56-57H2,(H,60,75)(H,61,70)(H,62,73)(H,63,74)(H,71,72)(H4,54,55,58)/t33-,35-,36+,37+,38+,39+,40+,41-/m1/s1
UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 174n/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
In vitro Bradykinin receptor B2 antagonist activity by using rat uterus functional assay

J Med Chem 39: 1472-84 (1996)


Article DOI: 10.1021/jm950716i
BindingDB Entry DOI: 10.7270/Q2HQ413S
More data for this
Ligand-Target Pair