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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 = 'BDBM50287270'   
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))
BDBM50287270
PNG
(CHEMBL432671 | [(2-{2-[2-(2,2-Diamino-vinyl)-thiaz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(CC(N)=N)n3)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C37H40N10O6S2/c1-47-28-13-6-5-12-27(28)33(24-9-3-2-4-10-24)45-34(35(47)50)46-36(51)44-25-11-7-8-23(16-25)19-53-37(52)42-22-41-31(49)18-30(48)40-14-15-54-20-26-21-55-32(43-26)17-29(38)39/h2-13,16,21,34H,14-15,17-20,22H2,1H3,(H3,38,39)(H,40,48)(H,41,49)(H,42,52)(H2,44,46,51)/t34-/m0/s1
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Article
n/an/a 4n/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)
BDBM50287270
PNG
(CHEMBL432671 | [(2-{2-[2-(2,2-Diamino-vinyl)-thiaz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(CC(N)=N)n3)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C37H40N10O6S2/c1-47-28-13-6-5-12-27(28)33(24-9-3-2-4-10-24)45-34(35(47)50)46-36(51)44-25-11-7-8-23(16-25)19-53-37(52)42-22-41-31(49)18-30(48)40-14-15-54-20-26-21-55-32(43-26)17-29(38)39/h2-13,16,21,34H,14-15,17-20,22H2,1H3,(H3,38,39)(H,40,48)(H,41,49)(H,42,52)(H2,44,46,51)/t34-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 75n/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