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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 = 'BDBM50089278'   
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)
BDBM50089278
PNG
(CHEMBL411016 | JMV 1801)
Show SMILES CCCCC(O)[C@@H](CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CN1CCCCC(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O
Show InChI InChI=1S/C52H74N12O9/c1-5-6-19-44(65)41(23-31(2)3)62-51(72)43(26-35-28-55-30-57-35)59-46(67)29-64-22-13-12-18-40(52(64)73)61-47(68)32(4)58-50(71)42(25-34-27-56-38-17-11-10-16-36(34)38)63-49(70)39(20-21-45(54)66)60-48(69)37(53)24-33-14-8-7-9-15-33/h7-11,14-17,27-28,30-32,37,39-44,56,65H,5-6,12-13,18-26,29,53H2,1-4H3,(H2,54,66)(H,55,57)(H,58,71)(H,59,67)(H,60,69)(H,61,68)(H,62,72)(H,63,70)/t32?,37-,39?,40?,41-,42?,43?,44?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
9n/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