Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50517336' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50517336
(CHEMBL4459331)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C85H124N14O29S/c1-2-3-26-61(79(113)91-52-72(103)93-66(48-57-51-90-60-27-22-21-25-59(57)60)82(116)96-62(34-36-69(86)100)80(114)99-68(50-77(110)111)84(118)97-64(78(87)112)46-55-23-17-16-18-24-55)95-81(115)65(47-56-30-32-58(33-31-56)128-129(121,122)123)98-83(117)67(49-76(108)109)94-74(105)54-127-45-43-125-41-39-89-73(104)53-126-44-42-124-40-38-88-70(101)37-35-63(85(119)120)92-71(102)28-19-14-12-10-8-6-4-5-7-9-11-13-15-20-29-75(106)107/h16-18,21-25,27,30-33,51,61-68,90H,2-15,19-20,26,28-29,34-50,52-54H2,1H3,(H2,86,100)(H2,87,112)(H,88,101)(H,89,104)(H,91,113)(H,92,102)(H,93,103)(H,94,105)(H,95,115)(H,96,116)(H,97,118)(H,98,117)(H,99,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK2R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50517336
(CHEMBL4459331)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C85H124N14O29S/c1-2-3-26-61(79(113)91-52-72(103)93-66(48-57-51-90-60-27-22-21-25-59(57)60)82(116)96-62(34-36-69(86)100)80(114)99-68(50-77(110)111)84(118)97-64(78(87)112)46-55-23-17-16-18-24-55)95-81(115)65(47-56-30-32-58(33-31-56)128-129(121,122)123)98-83(117)67(49-76(108)109)94-74(105)54-127-45-43-125-41-39-89-73(104)53-126-44-42-124-40-38-88-70(101)37-35-63(85(119)120)92-71(102)28-19-14-12-10-8-6-4-5-7-9-11-13-15-20-29-75(106)107/h16-18,21-25,27,30-33,51,61-68,90H,2-15,19-20,26,28-29,34-50,52-54H2,1H3,(H2,86,100)(H2,87,112)(H,88,101)(H,89,104)(H,91,113)(H,92,102)(H,93,103)(H,94,105)(H,95,115)(H,96,116)(H,97,118)(H,98,117)(H,99,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.417 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
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