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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 = 'BDBM50089287'   
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)		BDBM50089287
PNG
(Bombesin analogues | CHEMBL384242)
Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)Cn1c2ccccc2c(=O)n(CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)c1=O)C(N)=O
Show InChI InChI=1S/C55H70N14O10/c1-31(2)22-41(48(58)72)65-52(76)42(23-32(3)4)66-53(77)44(26-35-28-59-30-62-35)63-47(71)29-69-45-17-11-9-15-37(45)54(78)68(55(69)79)21-20-60-50(74)43(25-34-27-61-39-16-10-8-14-36(34)39)67-51(75)40(18-19-46(57)70)64-49(73)38(56)24-33-12-6-5-7-13-33/h5-17,27-28,30-32,38,40-44,61H,18-26,29,56H2,1-4H3,(H2,57,70)(H2,58,72)(H,59,62)(H,60,74)(H,63,71)(H,64,73)(H,65,76)(H,66,77)(H,67,75)/t38-,40?,41?,42?,43?,44?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+6n/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