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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 = 'BDBM50408045'   
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)		BDBM50408045
PNG
(CHEMBL2372278)
Show SMILES NC(=N)NCCCCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C52H76N14O12S/c53-51(54)57-19-7-6-18-44(71)63-21-9-17-39(63)48(75)66-28-34(68)24-40(66)46(73)59-26-42(69)61-37(25-35-15-10-22-79-35)45(72)62-38(30-67)47(74)65-27-32-12-5-4-11-31(32)23-41(65)49(76)64(33-13-2-1-3-14-33)29-43(70)60-36(50(77)78)16-8-20-58-52(55)56/h4-5,10-12,15,22,33-34,36-41,67-68H,1-3,6-9,13-14,16-21,23-30H2,(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H,77,78)(H4,53,54,57)(H4,55,56,58)/t34-,36-,37-,38-,39+,40+,41+/m0/s1
UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 0.490n/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