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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 = 'BDBM50408053'   
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)		BDBM50408053
PNG
(CHEMBL3038094)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C57H87N19O13S/c58-37(15-5-19-65-55(59)60)47(81)71-38(16-6-20-66-56(61)62)50(84)73-22-8-18-42(73)52(86)76-29-35(78)25-43(76)49(83)68-27-45(79)70-40(26-36-14-9-23-90-36)48(82)72-41(31-77)51(85)75-28-33-11-2-1-10-32(33)24-44(75)53(87)74(34-12-3-4-13-34)30-46(80)69-39(54(88)89)17-7-21-67-57(63)64/h1-2,9-11,14,23,34-35,37-44,77-78H,3-8,12-13,15-22,24-31,58H2,(H,68,83)(H,69,80)(H,70,79)(H,71,81)(H,72,82)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t35-,37+,38+,39+,40+,41+,42+,43+,44-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 3.16n/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