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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin-releasing peptide receptor' and Ligand = 'BDBM50005601'   
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
Gastrin-releasing peptide receptor


(RAT)		BDBM50005601
PNG
(CHEMBL2369819)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C58H76N14O10/c1-32(2)22-44(50(61)74)68-55(79)45(23-33(3)4)69-56(80)47(26-38-29-62-31-64-38)71-57(81)48-27-39(30-72(48)58(82)36-16-10-7-11-17-36)66-51(75)34(5)65-54(78)46(25-37-28-63-42-19-13-12-18-40(37)42)70-53(77)43(20-21-49(60)73)67-52(76)41(59)24-35-14-8-6-9-15-35/h6-19,28-29,31-34,39,41,43-48,63H,20-27,30,59H2,1-5H3,(H2,60,73)(H2,61,74)(H,62,64)(H,65,78)(H,66,75)(H,67,76)(H,68,79)(H,69,80)(H,70,77)(H,71,81)/t34-,39-,41+,43-,44-,45-,46-,47-,48-/m0/s1
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KEGG
PC cid
PC sid
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PubMed
>0n/an/an/an/an/an/an/an/a



CNRS-Universités Montpellier I & II

Curated by ChEMBL


Assay Description
In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.

J Med Chem 43: 2356-61 (2000)


BindingDB Entry DOI: 10.7270/Q21J990K
More data for this
Ligand-Target Pair