Found 4 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50154430' 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
(RAT) | BDBM50154430
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)| Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex homogenates |
J Med Chem 47: 5318-29 (2004)
Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50154430
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)| Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of 125I]-BH-(Thr,Nle)-CCK-9 binding to human CCK2 receptor expressed in COS-7 cells |
J Med Chem 47: 5318-29 (2004)
Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50154430
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)| Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9-induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
J Med Chem 47: 5318-29 (2004)
Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50154430
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)| Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor |
J Med Chem 47: 5318-29 (2004)
Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G |
More data for this
Ligand-Target Pair | |
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