Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50029720 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)) | BDBM50006878
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287270
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287272
(CHEMBL33412 | [2-(4-{2-[3-(3-Piperidin-1-ylmethyl-...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(CC3)C(=O)CNCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C48H59N9O6/c1-54-42-20-7-6-19-41(42)44(38-15-4-2-5-16-38)52-45(46(54)59)53-47(60)51-39-17-10-14-37(31-39)35-63-48(61)50-22-25-55-26-28-57(29-27-55)43(58)33-49-21-12-30-62-40-18-11-13-36(32-40)34-56-23-8-3-9-24-56/h2,4-7,10-11,13-20,31-32,45,49H,3,8-9,12,21-30,33-35H2,1H3,(H,50,61)(H2,51,53,60)/t45-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
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| Article
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287273
(CHEMBL285719 | [3-(4-{2-[3-(3-Piperidin-1-ylmethyl...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(CC3)C(=O)CNCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C49H61N9O6/c1-55-43-21-7-6-20-42(43)45(39-16-4-2-5-17-39)53-46(47(55)60)54-48(61)52-40-18-10-15-38(32-40)36-64-49(62)51-23-12-26-56-27-29-58(30-28-56)44(59)34-50-22-13-31-63-41-19-11-14-37(33-41)35-57-24-8-3-9-25-57/h2,4-7,10-11,14-21,32-33,46,50H,3,8-9,12-13,22-31,34-36H2,1H3,(H,51,62)(H2,52,54,61)/t46-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
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| Article
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287268
(CHEMBL284976 | {[3-(3-Piperidin-1-ylmethyl-phenoxy...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C42H47N7O6/c1-48-36-20-7-6-19-35(36)38(32-15-4-2-5-16-32)46-39(40(48)51)47-41(52)45-33-17-10-14-31(25-33)29-55-42(53)44-27-37(50)43-21-12-24-54-34-18-11-13-30(26-34)28-49-22-8-3-9-23-49/h2,4-7,10-11,13-20,25-26,39H,3,8-9,12,21-24,27-29H2,1H3,(H,43,50)(H,44,53)(H2,45,47,52)/t39-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
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| Article
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287260
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(CC(N)=N)n3)C2=O)c1 |t:11| Show InChI InChI=1S/C38H43N9O5S2/c1-25-9-7-12-27(21-25)44-37(50)46-35-36(49)47(30-14-6-5-13-29(30)34(45-35)26-10-3-2-4-11-26)18-19-52-38(51)42-16-8-15-32(48)41-17-20-53-23-28-24-54-33(43-28)22-31(39)40/h2-7,9-14,21,24,35H,8,15-20,22-23H2,1H3,(H3,39,40)(H,41,48)(H,42,51)(H2,44,46,50)/t35-/m0/s1 | PDB
Reactome pathway
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| Article
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287263
((2-{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylca...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C45H52N8O7/c1-52-38-20-7-6-19-37(38)41(34-15-4-2-5-16-34)50-42(43(52)56)51-44(57)49-35-17-10-14-33(27-35)31-60-45(58)48-23-22-47-40(55)29-39(54)46-21-12-26-59-36-18-11-13-32(28-36)30-53-24-8-3-9-25-53/h2,4-7,10-11,13-20,27-28,42H,3,8-9,12,21-26,29-31H2,1H3,(H,46,54)(H,47,55)(H,48,58)(H2,49,51,57)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287266
(CHEMBL290122 | {3-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C45H53N7O6/c1-51-39-21-7-6-20-38(39)41(35-16-4-2-5-17-35)49-42(43(51)54)50-44(55)48-36-18-10-14-33(30-36)23-29-58-45(56)47-24-12-22-40(53)46-25-13-28-57-37-19-11-15-34(31-37)32-52-26-8-3-9-27-52/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| Article
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287269
(CHEMBL33698 | {3-[3-(3-Piperidin-1-ylmethyl-phenox...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-50-38-21-7-6-20-37(38)40(34-16-4-2-5-17-34)48-41(42(50)53)49-43(54)47-35-18-10-15-33(28-35)31-57-44(55)46-23-12-22-39(52)45-24-13-27-56-36-19-11-14-32(29-36)30-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,28-29,41H,3,8-9,12-13,22-27,30-31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1 | PDB
Reactome pathway
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PC cid
PC sid
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| Article
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287267
(CHEMBL284975 | {2-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-50-38-20-7-6-19-37(38)40(34-15-4-2-5-16-34)48-41(42(50)53)49-43(54)47-35-17-10-13-32(29-35)22-28-57-44(55)46-24-21-39(52)45-23-12-27-56-36-18-11-14-33(30-36)31-51-25-8-3-9-26-51/h2,4-7,10-11,13-20,29-30,41H,3,8-9,12,21-28,31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1 | PDB
Reactome pathway
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PC sid
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| Article
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50006878
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50287265
(CHEMBL406844 | {2-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C43H49N7O6/c1-49-37-20-7-6-19-36(37)39(33-15-4-2-5-16-33)47-40(41(49)52)48-42(53)46-34-17-10-14-32(27-34)30-56-43(54)45-23-21-38(51)44-22-12-26-55-35-18-11-13-31(28-35)29-50-24-8-3-9-25-50/h2,4-7,10-11,13-20,27-28,40H,3,8-9,12,21-26,29-30H2,1H3,(H,44,51)(H,45,54)(H2,46,48,53)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50287261
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(CC(N)=N)n3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C37H43N9O4S2/c1-46-30-14-6-5-13-29(30)33(26-10-3-2-4-11-26)44-34(35(46)47)45-36(48)43-27-12-7-9-25(21-27)15-19-50-37(49)41-17-8-16-40-18-20-51-23-28-24-52-32(42-28)22-31(38)39/h2-7,9-14,21,24,34,40H,8,15-20,22-23H2,1H3,(H3,38,39)(H,41,49)(H2,43,45,48)/t34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50287272
(CHEMBL33412 | [2-(4-{2-[3-(3-Piperidin-1-ylmethyl-...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(CC3)C(=O)CNCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C48H59N9O6/c1-54-42-20-7-6-19-41(42)44(38-15-4-2-5-16-38)52-45(46(54)59)53-47(60)51-39-17-10-14-37(31-39)35-63-48(61)50-22-25-55-26-28-57(29-27-55)43(58)33-49-21-12-30-62-40-18-11-13-36(32-40)34-56-23-8-3-9-24-56/h2,4-7,10-11,13-20,31-32,45,49H,3,8-9,12,21-30,33-35H2,1H3,(H,50,61)(H2,51,53,60)/t45-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50287269
(CHEMBL33698 | {3-[3-(3-Piperidin-1-ylmethyl-phenox...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-50-38-21-7-6-20-37(38)40(34-16-4-2-5-17-34)48-41(42(50)53)49-43(54)47-35-18-10-15-33(28-35)31-57-44(55)46-23-12-22-39(52)45-24-13-27-56-36-19-11-14-32(29-36)30-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,28-29,41H,3,8-9,12-13,22-27,30-31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50287270
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50287267
(CHEMBL284975 | {2-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-50-38-20-7-6-19-37(38)40(34-15-4-2-5-16-34)48-41(42(50)53)49-43(54)47-35-17-10-13-32(29-35)22-28-57-44(55)46-24-21-39(52)45-23-12-27-56-36-18-11-14-33(30-36)31-51-25-8-3-9-26-51/h2,4-7,10-11,13-20,29-30,41H,3,8-9,12,21-28,31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50287263
((2-{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylca...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C45H52N8O7/c1-52-38-20-7-6-19-37(38)41(34-15-4-2-5-16-34)50-42(43(52)56)51-44(57)49-35-17-10-14-33(27-35)31-60-45(58)48-23-22-47-40(55)29-39(54)46-21-12-26-59-36-18-11-13-32(28-36)30-53-24-8-3-9-25-53/h2,4-7,10-11,13-20,27-28,42H,3,8-9,12,21-26,29-31H2,1H3,(H,46,54)(H,47,55)(H,48,58)(H2,49,51,57)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50287262
(CHEMBL33743 | {3-[3-(3-Piperidin-1-ylmethyl-phenox...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 |t:11| Show InChI InChI=1S/C45H53N7O6/c1-33-14-10-18-36(30-33)48-44(55)50-42-43(54)52(39-21-7-6-20-38(39)41(49-42)35-16-4-2-5-17-35)27-29-58-45(56)47-23-12-22-40(53)46-24-13-28-57-37-19-11-15-34(31-37)32-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC sid
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Similars
| Article
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50287265
(CHEMBL406844 | {2-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C43H49N7O6/c1-49-37-20-7-6-19-36(37)39(33-15-4-2-5-16-33)47-40(41(49)52)48-42(53)46-34-17-10-14-32(27-34)30-56-43(54)45-23-21-38(51)44-22-12-26-55-35-18-11-13-31(28-35)29-50-24-8-3-9-25-50/h2,4-7,10-11,13-20,27-28,40H,3,8-9,12,21-26,29-30H2,1H3,(H,44,51)(H,45,54)(H2,46,48,53)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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PC cid
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UniChem
Similars
| Article
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50287266
(CHEMBL290122 | {3-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C45H53N7O6/c1-51-39-21-7-6-20-38(39)41(35-16-4-2-5-17-35)49-42(43(51)54)50-44(55)48-36-18-10-14-33(30-36)23-29-58-45(56)47-24-12-22-40(53)46-25-13-28-57-37-19-11-15-34(31-37)32-52-26-8-3-9-27-52/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
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Similars
| Article
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50287268
(CHEMBL284976 | {[3-(3-Piperidin-1-ylmethyl-phenoxy...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C42H47N7O6/c1-48-36-20-7-6-19-35(36)38(32-15-4-2-5-16-32)46-39(40(48)51)47-41(52)45-33-17-10-14-31(25-33)29-55-42(53)44-27-37(50)43-21-12-24-54-34-18-11-13-30(26-34)28-49-22-8-3-9-23-49/h2,4-7,10-11,13-20,25-26,39H,3,8-9,12,21-24,27-29H2,1H3,(H,43,50)(H,44,53)(H2,45,47,52)/t39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
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Similars
| Article
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50287264
(CHEMBL287295 | {3-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-31-13-8-16-34(27-31)47-43(54)49-41-42(53)50(2)38-20-5-4-19-37(38)40(48-41)33-15-10-18-36(29-33)57-44(55)46-22-11-21-39(52)45-23-12-26-56-35-17-9-14-32(28-35)30-51-24-6-3-7-25-51/h4-5,8-10,13-20,27-29,41H,3,6-7,11-12,21-26,30H2,1-2H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50287261
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(CC(N)=N)n3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C37H43N9O4S2/c1-46-30-14-6-5-13-29(30)33(26-10-3-2-4-11-26)44-34(35(46)47)45-36(48)43-27-12-7-9-25(21-27)15-19-50-37(49)41-17-8-16-40-18-20-51-23-28-24-52-32(42-28)22-31(38)39/h2-7,9-14,21,24,34,40H,8,15-20,22-23H2,1H3,(H3,38,39)(H,41,49)(H2,43,45,48)/t34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287265
(CHEMBL406844 | {2-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C43H49N7O6/c1-49-37-20-7-6-19-36(37)39(33-15-4-2-5-16-33)47-40(41(49)52)48-42(53)46-34-17-10-14-32(27-34)30-56-43(54)45-23-21-38(51)44-22-12-26-55-35-18-11-13-31(28-35)29-50-24-8-3-9-25-50/h2,4-7,10-11,13-20,27-28,40H,3,8-9,12,21-26,29-30H2,1H3,(H,44,51)(H,45,54)(H2,46,48,53)/t40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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) | BDBM50287273
(CHEMBL285719 | [3-(4-{2-[3-(3-Piperidin-1-ylmethyl...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(CC3)C(=O)CNCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C49H61N9O6/c1-55-43-21-7-6-20-42(43)45(39-16-4-2-5-17-39)53-46(47(55)60)54-48(61)52-40-18-10-15-38(32-40)36-64-49(62)51-23-12-26-56-27-29-58(30-28-56)44(59)34-50-22-13-31-63-41-19-11-14-37(33-41)35-57-24-8-3-9-25-57/h2,4-7,10-11,14-21,32-33,46,50H,3,8-9,12-13,22-31,34-36H2,1H3,(H,51,62)(H2,52,54,61)/t46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50287264
(CHEMBL287295 | {3-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-31-13-8-16-34(27-31)47-43(54)49-41-42(53)50(2)38-20-5-4-19-37(38)40(48-41)33-15-10-18-36(29-33)57-44(55)46-22-11-21-39(52)45-23-12-26-56-35-17-9-14-32(28-35)30-51-24-6-3-7-25-51/h4-5,8-10,13-20,27-29,41H,3,6-7,11-12,21-26,30H2,1-2H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287272
(CHEMBL33412 | [2-(4-{2-[3-(3-Piperidin-1-ylmethyl-...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(CC3)C(=O)CNCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C48H59N9O6/c1-54-42-20-7-6-19-41(42)44(38-15-4-2-5-16-38)52-45(46(54)59)53-47(60)51-39-17-10-14-37(31-39)35-63-48(61)50-22-25-55-26-28-57(29-27-55)43(58)33-49-21-12-30-62-40-18-11-13-36(32-40)34-56-23-8-3-9-24-56/h2,4-7,10-11,13-20,31-32,45,49H,3,8-9,12,21-30,33-35H2,1H3,(H,50,61)(H2,51,53,60)/t45-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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) | BDBM50287260
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(CC(N)=N)n3)C2=O)c1 |t:11| Show InChI InChI=1S/C38H43N9O5S2/c1-25-9-7-12-27(21-25)44-37(50)46-35-36(49)47(30-14-6-5-13-29(30)34(45-35)26-10-3-2-4-11-26)18-19-52-38(51)42-16-8-15-32(48)41-17-20-53-23-28-24-54-33(43-28)22-31(39)40/h2-7,9-14,21,24,35H,8,15-20,22-23H2,1H3,(H3,39,40)(H,41,48)(H,42,51)(H2,44,46,50)/t35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50287271
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCSCc2csc(CC(N)=N)n2)c1 |c:9| Show InChI InChI=1S/C37H41N9O5S2/c1-23-8-5-10-25(18-23)43-36(49)45-34-35(48)46(2)29-13-4-3-12-28(29)33(44-34)24-9-6-11-27(19-24)51-37(50)41-15-7-14-31(47)40-16-17-52-21-26-22-53-32(42-26)20-30(38)39/h3-6,8-13,18-19,22,34H,7,14-17,20-21H2,1-2H3,(H3,38,39)(H,40,47)(H,41,50)(H2,43,45,49)/t34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287271
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCSCc2csc(CC(N)=N)n2)c1 |c:9| Show InChI InChI=1S/C37H41N9O5S2/c1-23-8-5-10-25(18-23)43-36(49)45-34-35(48)46(2)29-13-4-3-12-28(29)33(44-34)24-9-6-11-27(19-24)51-37(50)41-15-7-14-31(47)40-16-17-52-21-26-22-53-32(42-26)20-30(38)39/h3-6,8-13,18-19,22,34H,7,14-17,20-21H2,1-2H3,(H3,38,39)(H,40,47)(H,41,50)(H2,43,45,49)/t34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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) | BDBM50287271
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCSCc2csc(CC(N)=N)n2)c1 |c:9| Show InChI InChI=1S/C37H41N9O5S2/c1-23-8-5-10-25(18-23)43-36(49)45-34-35(48)46(2)29-13-4-3-12-28(29)33(44-34)24-9-6-11-27(19-24)51-37(50)41-15-7-14-31(47)40-16-17-52-21-26-22-53-32(42-26)20-30(38)39/h3-6,8-13,18-19,22,34H,7,14-17,20-21H2,1-2H3,(H3,38,39)(H,40,47)(H,41,50)(H2,43,45,49)/t34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287261
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(CC(N)=N)n3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C37H43N9O4S2/c1-46-30-14-6-5-13-29(30)33(26-10-3-2-4-11-26)44-34(35(46)47)45-36(48)43-27-12-7-9-25(21-27)15-19-50-37(49)41-17-8-16-40-18-20-51-23-28-24-52-32(42-28)22-31(38)39/h2-7,9-14,21,24,34,40H,8,15-20,22-23H2,1H3,(H3,38,39)(H,41,49)(H2,43,45,48)/t34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287273
(CHEMBL285719 | [3-(4-{2-[3-(3-Piperidin-1-ylmethyl...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(CC3)C(=O)CNCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C49H61N9O6/c1-55-43-21-7-6-20-42(43)45(39-16-4-2-5-17-39)53-46(47(55)60)54-48(61)52-40-18-10-15-38(32-40)36-64-49(62)51-23-12-26-56-27-29-58(30-28-56)44(59)34-50-22-13-31-63-41-19-11-14-37(33-41)35-57-24-8-3-9-25-57/h2,4-7,10-11,14-21,32-33,46,50H,3,8-9,12-13,22-31,34-36H2,1H3,(H,51,62)(H2,52,54,61)/t46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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Similars
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| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287270
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287269
(CHEMBL33698 | {3-[3-(3-Piperidin-1-ylmethyl-phenox...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-50-38-21-7-6-20-37(38)40(34-16-4-2-5-17-34)48-41(42(50)53)49-43(54)47-35-18-10-15-33(28-35)31-57-44(55)46-23-12-22-39(52)45-24-13-27-56-36-19-11-14-32(29-36)30-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,28-29,41H,3,8-9,12-13,22-27,30-31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287264
(CHEMBL287295 | {3-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-31-13-8-16-34(27-31)47-43(54)49-41-42(53)50(2)38-20-5-4-19-37(38)40(48-41)33-15-10-18-36(29-33)57-44(55)46-22-11-21-39(52)45-23-12-26-56-35-17-9-14-32(28-35)30-51-24-6-3-7-25-51/h4-5,8-10,13-20,27-29,41H,3,6-7,11-12,21-26,30H2,1-2H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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) | BDBM50287262
(CHEMBL33743 | {3-[3-(3-Piperidin-1-ylmethyl-phenox...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 |t:11| Show InChI InChI=1S/C45H53N7O6/c1-33-14-10-18-36(30-33)48-44(55)50-42-43(54)52(39-21-7-6-20-38(39)41(49-42)35-16-4-2-5-17-35)27-29-58-45(56)47-23-12-22-40(53)46-24-13-28-57-37-19-11-15-34(31-37)32-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287267
(CHEMBL284975 | {2-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C44H51N7O6/c1-50-38-20-7-6-19-37(38)40(34-15-4-2-5-16-34)48-41(42(50)53)49-43(54)47-35-17-10-13-32(29-35)22-28-57-44(55)46-24-21-39(52)45-23-12-27-56-36-18-11-14-33(30-36)31-51-25-8-3-9-26-51/h2,4-7,10-11,13-20,29-30,41H,3,8-9,12,21-28,31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287260
((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(CC(N)=N)n3)C2=O)c1 |t:11| Show InChI InChI=1S/C38H43N9O5S2/c1-25-9-7-12-27(21-25)44-37(50)46-35-36(49)47(30-14-6-5-13-29(30)34(45-35)26-10-3-2-4-11-26)18-19-52-38(51)42-16-8-15-32(48)41-17-20-53-23-28-24-54-33(43-28)22-31(39)40/h2-7,9-14,21,24,35H,8,15-20,22-23H2,1H3,(H3,39,40)(H,41,48)(H,42,51)(H2,44,46,50)/t35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287262
(CHEMBL33743 | {3-[3-(3-Piperidin-1-ylmethyl-phenox...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 |t:11| Show InChI InChI=1S/C45H53N7O6/c1-33-14-10-18-36(30-33)48-44(55)50-42-43(54)52(39-21-7-6-20-38(39)41(49-42)35-16-4-2-5-17-35)27-29-58-45(56)47-23-12-22-40(53)46-24-13-28-57-37-19-11-15-34(31-37)32-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287266
(CHEMBL290122 | {3-[3-(3-Piperidin-1-ylmethyl-pheno...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C45H53N7O6/c1-51-39-21-7-6-20-38(39)41(35-16-4-2-5-17-35)49-42(43(51)54)50-44(55)48-36-18-10-14-33(30-36)23-29-58-45(56)47-24-12-22-40(53)46-25-13-28-57-37-19-11-15-34(31-37)32-52-26-8-3-9-27-52/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287268
(CHEMBL284976 | {[3-(3-Piperidin-1-ylmethyl-phenoxy...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C42H47N7O6/c1-48-36-20-7-6-19-35(36)38(32-15-4-2-5-16-32)46-39(40(48)51)47-41(52)45-33-17-10-14-31(25-33)29-55-42(53)44-27-37(50)43-21-12-24-54-34-18-11-13-30(26-34)28-49-22-8-3-9-23-49/h2,4-7,10-11,13-20,25-26,39H,3,8-9,12,21-24,27-29H2,1H3,(H,43,50)(H,44,53)(H2,45,47,52)/t39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50287263
((2-{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylca...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C45H52N8O7/c1-52-38-20-7-6-19-37(38)41(34-15-4-2-5-16-34)50-42(43(52)56)51-44(57)49-35-17-10-14-33(27-35)31-60-45(58)48-23-22-47-40(55)29-39(54)46-21-12-26-59-36-18-11-13-32(28-36)30-53-24-8-3-9-25-53/h2,4-7,10-11,13-20,27-28,42H,3,8-9,12,21-26,29-31H2,1H3,(H,46,54)(H,47,55)(H,48,58)(H2,49,51,57)/t42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
Cholecystokinin receptor type A
(Mus musculus) | BDBM50006878
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cholecystokinin type A 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 | |
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