Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50348756' 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)) | BDBM50348756
(CHEMBL1806532)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C89H127N25O29S/c1-48(79(133)109-63(39-50-12-14-52(115)15-13-50)80(134)98-43-72(122)101-64(40-51-42-97-54-11-7-6-10-53(51)54)88(142)107-61(28-37-144-2)87(141)110-65(41-74(124)125)89(143)108-62(78(96)132)38-49-8-4-3-5-9-49)99-81(135)56(17-23-67(91)117)102-83(137)58(19-25-69(93)119)104-85(139)60(21-27-71(95)121)106-86(140)59(20-26-70(94)120)105-84(138)57(18-24-68(92)118)103-82(136)55(16-22-66(90)116)100-73(123)44-111-29-31-112(45-75(126)127)33-35-114(47-77(130)131)36-34-113(32-30-111)46-76(128)129/h3-15,42,48,55-65,97,115H,16-41,43-47H2,1-2H3,(H2,90,116)(H2,91,117)(H2,92,118)(H2,93,119)(H2,94,120)(H2,95,121)(H2,96,132)(H,98,134)(H,99,135)(H,100,123)(H,101,122)(H,102,137)(H,103,136)(H,104,139)(H,105,138)(H,106,140)(H,107,142)(H,108,143)(H,109,133)(H,110,141)(H,124,125)(H,126,127)(H,128,129)(H,130,131)/t48-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University Medical Centre Ljubljana
Curated by ChEMBL
| Assay Description
Displacement of [125I]CCK from gastrin receptor isolated from human tumor tissues |
J Med Chem 54: 2602-9 (2011)
Article DOI: 10.1021/jm101279a
BindingDB Entry DOI: 10.7270/Q2668DK5 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50348756
(CHEMBL1806532)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C89H127N25O29S/c1-48(79(133)109-63(39-50-12-14-52(115)15-13-50)80(134)98-43-72(122)101-64(40-51-42-97-54-11-7-6-10-53(51)54)88(142)107-61(28-37-144-2)87(141)110-65(41-74(124)125)89(143)108-62(78(96)132)38-49-8-4-3-5-9-49)99-81(135)56(17-23-67(91)117)102-83(137)58(19-25-69(93)119)104-85(139)60(21-27-71(95)121)106-86(140)59(20-26-70(94)120)105-84(138)57(18-24-68(92)118)103-82(136)55(16-22-66(90)116)100-73(123)44-111-29-31-112(45-75(126)127)33-35-114(47-77(130)131)36-34-113(32-30-111)46-76(128)129/h3-15,42,48,55-65,97,115H,16-41,43-47H2,1-2H3,(H2,90,116)(H2,91,117)(H2,92,118)(H2,93,119)(H2,94,120)(H2,95,121)(H2,96,132)(H,98,134)(H,99,135)(H,100,123)(H,101,122)(H,102,137)(H,103,136)(H,104,139)(H,105,138)(H,106,140)(H,107,142)(H,108,143)(H,109,133)(H,110,141)(H,124,125)(H,126,127)(H,128,129)(H,130,131)/t48-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a |
University Medical Centre Ljubljana
Curated by ChEMBL
| Assay Description
Agonist activity at gastrin receptor in rat AR4-2J cells assessed as intracellular calcium mobilization by fluorescence assay |
J Med Chem 54: 2602-9 (2011)
Article DOI: 10.1021/jm101279a
BindingDB Entry DOI: 10.7270/Q2668DK5 |
More data for this
Ligand-Target Pair | |
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