Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50517335' 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)) | BDBM50517335
(CHEMBL4547294)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(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](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C86H128N13O28P/c1-3-5-29-63(80(112)91-54-73(102)93-68(50-59-53-90-62-31-25-24-28-61(59)62)83(115)96-64(30-6-4-2)81(113)99-70(52-78(109)110)85(117)97-66(79(87)111)48-57-26-20-19-21-27-57)95-82(114)67(49-58-34-36-60(37-35-58)127-128(120,121)122)98-84(116)69(51-77(107)108)94-75(104)56-126-47-45-124-43-41-89-74(103)55-125-46-44-123-42-40-88-71(100)39-38-65(86(118)119)92-72(101)32-22-17-15-13-11-9-7-8-10-12-14-16-18-23-33-76(105)106/h19-21,24-28,31,34-37,53,63-70,90H,3-18,22-23,29-30,32-33,38-52,54-56H2,1-2H3,(H2,87,111)(H,88,100)(H,89,103)(H,91,112)(H,92,101)(H,93,102)(H,94,104)(H,95,114)(H,96,115)(H,97,117)(H,98,116)(H,99,113)(H,105,106)(H,107,108)(H,109,110)(H,118,119)(H2,120,121,122)/t63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | 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)) | BDBM50517335
(CHEMBL4547294)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(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](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C86H128N13O28P/c1-3-5-29-63(80(112)91-54-73(102)93-68(50-59-53-90-62-31-25-24-28-61(59)62)83(115)96-64(30-6-4-2)81(113)99-70(52-78(109)110)85(117)97-66(79(87)111)48-57-26-20-19-21-27-57)95-82(114)67(49-58-34-36-60(37-35-58)127-128(120,121)122)98-84(116)69(51-77(107)108)94-75(104)56-126-47-45-124-43-41-89-74(103)55-125-46-44-123-42-40-88-71(100)39-38-65(86(118)119)92-72(101)32-22-17-15-13-11-9-7-8-10-12-14-16-18-23-33-76(105)106/h19-21,24-28,31,34-37,53,63-70,90H,3-18,22-23,29-30,32-33,38-52,54-56H2,1-2H3,(H2,87,111)(H,88,100)(H,89,103)(H,91,112)(H,92,101)(H,93,102)(H,94,104)(H,95,114)(H,96,115)(H,97,117)(H,98,116)(H,99,113)(H,105,106)(H,107,108)(H,109,110)(H,118,119)(H2,120,121,122)/t63-,64-,65-,66-,67-,68-,69-,70-/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 | 0.331 | 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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