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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50287261'   
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/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50287261
PNG
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(CC(N)=N)n3)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C37H43N9O4S2/c1-46-30-14-6-5-13-29(30)33(26-10-3-2-4-11-26)44-34(35(46)47)45-36(48)43-27-12-7-9-25(21-27)15-19-50-37(49)41-17-8-16-40-18-20-51-23-28-24-52-32(42-28)22-31(38)39/h2-7,9-14,21,24,34,40H,8,15-20,22-23H2,1H3,(H3,38,39)(H,41,49)(H2,43,45,48)/t34-/m0/s1
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Article
n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against gastrin receptor.


Bioorg Med Chem Lett 6: 1427-1430 (1996)


Article DOI: 10.1016/S0960-894X(96)00249-1
BindingDB Entry DOI: 10.7270/Q2XD11NF
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)
BDBM50287261
PNG
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(CC(N)=N)n3)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C37H43N9O4S2/c1-46-30-14-6-5-13-29(30)33(26-10-3-2-4-11-26)44-34(35(46)47)45-36(48)43-27-12-7-9-25(21-27)15-19-50-37(49)41-17-8-16-40-18-20-51-23-28-24-52-32(42-28)22-31(38)39/h2-7,9-14,21,24,34,40H,8,15-20,22-23H2,1H3,(H3,38,39)(H,41,49)(H2,43,45,48)/t34-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Cholecystokinin type B receptor


Bioorg Med Chem Lett 6: 1427-1430 (1996)


Article DOI: 10.1016/S0960-894X(96)00249-1
BindingDB Entry DOI: 10.7270/Q2XD11NF
More data for this
Ligand-Target Pair