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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 = 'BDBM50081653'   
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


(Homo sapiens (Human))		BDBM50081653
PNG
(CHEMBL413386 | [2-[2-(3-Amino-4-oxo-3,4-dihydro-2H...)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NC1CSc2ccccc2N(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1=O
Show InChI InChI=1S/C47H67N15O12S/c48-28(11-6-16-53-46(49)50)42(70)60-18-8-14-34(60)44(72)61-22-27(64)20-35(61)41(69)55-21-37(65)57-30(19-26-9-2-1-3-10-26)39(67)58-31(24-63)40(68)59-32-25-75-36-15-5-4-13-33(36)62(43(32)71)23-38(66)56-29(45(73)74)12-7-17-54-47(51)52/h1-5,9-10,13,15,27-32,34-35,63-64H,6-8,11-12,14,16-25,48H2,(H,55,69)(H,56,66)(H,57,65)(H,58,67)(H,59,68)(H,73,74)(H4,49,50,53)(H4,51,52,54)/t27?,28-,29+,30-,31-,32?,34-,35-/m0/s1
PDB

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Similars
PubMed
 13n/an/an/an/an/an/an/an/a



Universit£s Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand

J Med Chem 42: 4185-92 (1999)


BindingDB Entry DOI: 10.7270/Q25Q4WTF
More data for this
Ligand-Target Pair