Found 6851 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.00900 | n/a | n/a | n/a | n/a |
Mayo Clinic and Foundation
Curated by ChEMBL
| Assay Description
Ability to stimulate intracellular calcium response was determined using CCK receptor-bearing chinese hamster ovary cell line |
J Med Chem 42: 2105-11 (1999)
Article DOI: 10.1021/jm980732q
BindingDB Entry DOI: 10.7270/Q27P924Q |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50061829
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...)Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0251 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245189
(3-((R)-3-(acetamidomethyl)-4-(1-(3-ethoxyphenyl)-2...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1CNC(C)=O)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C37H36FN5O5/c1-4-48-29-10-7-9-26(18-29)43-22-34(40-35(43)31-13-12-23(2)16-33(31)38)36(45)42-15-14-41(21-28(42)20-39-24(3)44)27-17-25-8-5-6-11-30(25)32(19-27)37(46)47/h5-13,16-19,22,28H,4,14-15,20-21H2,1-3H3,(H,39,44)(H,46,47)/t28-/m1/s1 | PDB
Reactome pathway
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0330 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245188
(3-((S)-3-((carboxymethoxy)methyl)-4-(1-(3-ethoxyph...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1COCC(O)=O)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C37H35FN4O7/c1-3-49-28-9-6-8-25(17-28)42-20-33(39-35(42)30-12-11-23(2)15-32(30)38)36(45)41-14-13-40(19-27(41)21-48-22-34(43)44)26-16-24-7-4-5-10-29(24)31(18-26)37(46)47/h4-12,15-18,20,27H,3,13-14,19,21-22H2,1-2H3,(H,43,44)(H,46,47)/t27-/m0/s1 | PDB
Reactome pathway
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0340 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Mus musculus) | BDBM50245192
(3-((S)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylp...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1C(=O)NC(C)C)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C38H38FN5O5/c1-5-49-28-11-8-10-26(19-28)44-21-33(41-35(44)30-14-13-24(4)17-32(30)39)37(46)43-16-15-42(22-34(43)36(45)40-23(2)3)27-18-25-9-6-7-12-29(25)31(20-27)38(47)48/h6-14,17-21,23,34H,5,15-16,22H2,1-4H3,(H,40,45)(H,47,48)/t34-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0340 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245182
(3-((S)-3-(acetamidomethyl)-4-(1-(3-ethoxyphenyl)-2...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNC(C)=O)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C37H37N5O5/c1-4-47-31-10-7-9-28(19-31)42-23-34(39-35(42)26-14-12-24(2)13-15-26)36(44)41-17-16-40(22-30(41)21-38-25(3)43)29-18-27-8-5-6-11-32(27)33(20-29)37(45)46/h5-15,18-20,23,30H,4,16-17,21-22H2,1-3H3,(H,38,43)(H,45,46)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0437 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50263226
(3-(4-(1-(3-ethoxyphenyl)-2-(4-fluorophenyl)-1H-imi...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C33H29FN4O4/c1-2-42-27-8-5-7-25(19-27)38-21-30(35-31(38)22-10-12-24(34)13-11-22)32(39)37-16-14-36(15-17-37)26-18-23-6-3-4-9-28(23)29(20-26)33(40)41/h3-13,18-21H,2,14-17H2,1H3,(H,40,41) | PDB
Reactome pathway
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0480 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity against human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50263227
(3-(4-(2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)-1H...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(F)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C33H28F2N4O4/c1-2-43-25-8-5-7-23(18-25)39-20-30(36-31(39)27-11-10-22(34)17-29(27)35)32(40)38-14-12-37(13-15-38)24-16-21-6-3-4-9-26(21)28(19-24)33(41)42/h3-11,16-20H,2,12-15H2,1H3,(H,41,42) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0530 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity against human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245186
(3-((S)-4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1C(=O)NC(C)C)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C38H39N5O5/c1-5-48-30-11-8-10-28(20-30)43-22-33(40-35(43)26-15-13-25(4)14-16-26)37(45)42-18-17-41(23-34(42)36(44)39-24(2)3)29-19-27-9-6-7-12-31(27)32(21-29)38(46)47/h6-16,19-22,24,34H,5,17-18,23H2,1-4H3,(H,39,44)(H,46,47)/t34-/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0530 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245187
(3-(4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylpheny...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H31FN4O4/c1-3-43-26-9-6-8-24(19-26)39-21-31(36-32(39)28-12-11-22(2)17-30(28)35)33(40)38-15-13-37(14-16-38)25-18-23-7-4-5-10-27(23)29(20-25)34(41)42/h4-12,17-21H,3,13-16H2,1-2H3,(H,41,42) | PDB
Reactome pathway
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0550 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245187
(3-(4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylpheny...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H31FN4O4/c1-3-43-26-9-6-8-24(19-26)39-21-31(36-32(39)28-12-11-22(2)17-30(28)35)33(40)38-15-13-37(14-16-38)25-18-23-7-4-5-10-27(23)29(20-25)34(41)42/h4-12,17-21H,3,13-16H2,1-2H3,(H,41,42) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0560 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity against human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517380
(CHEMBL4464703)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](CCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0603 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50343721
(3-(4-(4-(2-fluoro-4-methylphenyl)-5-(4-methoxyphen...)Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H29FN4O4/c1-21-7-12-27(30(35)17-21)31-29(22-8-10-25(43-2)11-9-22)20-36-32(37-31)33(40)39-15-13-38(14-16-39)24-18-23-5-3-4-6-26(23)28(19-24)34(41)42/h3-12,17-20H,13-16H2,1-2H3,(H,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a |
Merck & Co. Inc
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m... |
Bioorg Med Chem Lett 21: 2911-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245201
(3-(((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazo...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1COCC(O)=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C35H35N5O5/c1-3-45-30-9-6-8-27(18-30)40-21-32(37-34(40)25-13-11-24(2)12-14-25)35(43)39-16-15-38(20-29(39)22-44-23-33(41)42)28-17-26-7-4-5-10-31(26)36-19-28/h4-14,17-19,21,29H,3,15-16,20,22-23H2,1-2H3,(H,41,42)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0650 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50343722
(3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2...)Show SMILES Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43) | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0650 | n/a | n/a | n/a | n/a |
Merck & Co. Inc
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m... |
Bioorg Med Chem Lett 21: 2911-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517379
(CHEMBL4453982)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(CS(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)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
| Article
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| n/a | n/a | n/a | n/a | 0.0676 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245192
(3-((S)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylp...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1C(=O)NC(C)C)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C38H38FN5O5/c1-5-49-28-11-8-10-26(19-28)44-21-33(41-35(44)30-14-13-24(4)17-32(30)39)37(46)43-16-15-42(22-34(43)36(45)40-23(2)3)27-18-25-9-6-7-12-29(25)31(20-27)38(47)48/h6-14,17-21,23,34H,5,15-16,22H2,1-4H3,(H,40,45)(H,47,48)/t34-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0710 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245191
(3-((R)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylp...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1CNC(=O)NC)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C37H37FN6O5/c1-4-49-28-10-7-9-25(18-28)44-22-33(41-34(44)30-13-12-23(2)16-32(30)38)35(45)43-15-14-42(21-27(43)20-40-37(48)39-3)26-17-24-8-5-6-11-29(24)31(19-26)36(46)47/h5-13,16-19,22,27H,4,14-15,20-21H2,1-3H3,(H,46,47)(H2,39,40,48)/t27-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0740 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50263230
(3-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(2...)Show SMILES Cc1ccc(-c2nc(cn2-c2ccc3OCCOc3c2)C(=O)N2CCN(CC2)c2cc(C(O)=O)c3ccccc3c2)c(F)c1 Show InChI InChI=1S/C34H29FN4O5/c1-21-6-8-26(28(35)16-21)32-36-29(20-39(32)23-7-9-30-31(19-23)44-15-14-43-30)33(40)38-12-10-37(11-13-38)24-17-22-4-2-3-5-25(22)27(18-24)34(41)42/h2-9,16-20H,10-15H2,1H3,(H,41,42) | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0770 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity against human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50262862
(3-(4-(1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazole-4...)Show SMILES COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C33H30N4O4/c1-22-10-12-23(13-11-22)31-34-30(21-37(31)25-7-5-8-27(19-25)41-2)32(38)36-16-14-35(15-17-36)26-18-24-6-3-4-9-28(24)29(20-26)33(39)40/h3-13,18-21H,14-17H2,1-2H3,(H,39,40) | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 0.0780 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity against human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245185
(3-((R)-4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1C(=O)NC(C)C)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C38H39N5O5/c1-5-48-30-11-8-10-28(20-30)43-22-33(40-35(43)26-15-13-25(4)14-16-26)37(45)42-18-17-41(23-34(42)36(44)39-24(2)3)29-19-27-9-6-7-12-31(27)32(21-29)38(46)47/h6-16,19-22,24,34H,5,17-18,23H2,1-4H3,(H,39,44)(H,46,47)/t34-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0820 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245205
(2-((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1C(=O)NCC(O)=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C35H34N6O5/c1-3-46-28-9-6-8-26(18-28)41-21-30(38-33(41)24-13-11-23(2)12-14-24)35(45)40-16-15-39(22-31(40)34(44)37-20-32(42)43)27-17-25-7-4-5-10-29(25)36-19-27/h4-14,17-19,21,31H,3,15-16,20,22H2,1-2H3,(H,37,44)(H,42,43)/t31-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 0.0890 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50263229
(3-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4...)Show SMILES OC(=O)c1cc(cc2ccccc12)N1CCN(CC1)C(=O)c1cn(c(n1)-c1ccc(F)cc1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C33H27FN4O5/c34-23-7-5-21(6-8-23)31-35-28(20-38(31)24-9-10-29-30(19-24)43-16-15-42-29)32(39)37-13-11-36(12-14-37)25-17-22-3-1-2-4-26(22)27(18-25)33(40)41/h1-10,17-20H,11-16H2,(H,40,41) | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 0.0930 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity against human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0930 | n/a | n/a | n/a | n/a |
Tom's of Maine
Curated by ChEMBL
| Assay Description
Displacement of [125I]CCK-8 from CCK2 receptor in human FGS7 Jurkat cells |
J Nat Prod 69: 432-5 (2006)
Article DOI: 10.1021/np058114h
BindingDB Entry DOI: 10.7270/Q2V98907 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245180
(3-(4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H32N4O4/c1-3-42-28-9-6-8-26(20-28)38-22-31(35-32(38)24-13-11-23(2)12-14-24)33(39)37-17-15-36(16-18-37)27-19-25-7-4-5-10-29(25)30(21-27)34(40)41/h4-14,19-22H,3,15-18H2,1-2H3,(H,40,41) | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0940 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245180
(3-(4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H32N4O4/c1-3-42-28-9-6-8-26(20-28)38-22-31(35-32(38)24-13-11-23(2)12-14-24)33(39)37-17-15-36(16-18-37)27-19-25-7-4-5-10-29(25)30(21-27)34(40)41/h4-14,19-22H,3,15-18H2,1-2H3,(H,40,41) | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 0.0940 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity against human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245183
(3-((R)-4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNS(C)(=O)=O)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C36H37N5O6S/c1-4-47-30-10-7-9-27(19-30)41-23-33(38-34(41)25-14-12-24(2)13-15-25)35(42)40-17-16-39(22-29(40)21-37-48(3,45)46)28-18-26-8-5-6-11-31(26)32(20-28)36(43)44/h5-15,18-20,23,29,37H,4,16-17,21-22H2,1-3H3,(H,43,44)/t29-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 0.0950 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245195
(2-(((R)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazo...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1COCC(O)=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C35H35N5O5/c1-3-45-30-9-6-8-27(18-30)40-21-32(37-34(40)25-13-11-24(2)12-14-25)35(43)39-16-15-38(20-29(39)22-44-23-33(41)42)28-17-26-7-4-5-10-31(26)36-19-28/h4-14,17-19,21,29H,3,15-16,20,22-23H2,1-2H3,(H,41,42)/t29-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245202
(CHEMBL503331 | N-(((R)-1-(1-(3-ethoxyphenyl)-2-p-t...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1CNC(C)=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C35H36N6O3/c1-4-44-31-10-7-9-28(19-31)41-23-33(38-34(41)26-14-12-24(2)13-15-26)35(43)40-17-16-39(22-30(40)21-36-25(3)42)29-18-27-8-5-6-11-32(27)37-20-29/h5-15,18-20,23,30H,4,16-17,21-22H2,1-3H3,(H,36,42)/t30-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245181
(3-((R)-3-((carboxymethoxy)methyl)-4-(1-(3-ethoxyph...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1COCC(O)=O)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C37H36N4O7/c1-3-48-30-9-6-8-27(18-30)41-21-33(38-35(41)25-13-11-24(2)12-14-25)36(44)40-16-15-39(20-29(40)22-47-23-34(42)43)28-17-26-7-4-5-10-31(26)32(19-28)37(45)46/h4-14,17-19,21,29H,3,15-16,20,22-23H2,1-2H3,(H,42,43)(H,45,46)/t29-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245190
(3-((S)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylp...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1CNS(C)(=O)=O)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C36H36FN5O6S/c1-4-48-28-10-7-9-25(18-28)42-22-33(39-34(42)30-13-12-23(2)16-32(30)37)35(43)41-15-14-40(21-27(41)20-38-49(3,46)47)26-17-24-8-5-6-11-29(24)31(19-26)36(44)45/h5-13,16-19,22,27,38H,4,14-15,20-21H2,1-3H3,(H,44,45)/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245196
(CHEMBL450443 | N-(((S)-1-(1-(3-ethoxyphenyl)-2-p-t...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNC(C)=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C35H36N6O3/c1-4-44-31-10-7-9-28(19-31)41-23-33(38-34(41)26-14-12-24(2)13-15-26)35(43)40-17-16-39(22-30(40)21-36-25(3)42)29-18-27-8-5-6-11-32(27)37-20-29/h5-15,18-20,23,30H,4,16-17,21-22H2,1-3H3,(H,36,42)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50004477
(CCK7 analogue | CHEMBL269016 | N-(1-Carbamoyl-2-ph...)Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-39(26-32-28-50-35-18-12-11-15-34(32)35)46(63)54-37(17-7-5-2)48(65)56(3)40(27-43(59)60)47(64)55-38(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Thermodynamic dissociation constant of compound for wild type E. coli dihydrofolate reductase |
J Med Chem 35: 2919-28 (1992)
Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH |
More data for this
Ligand-Target Pair | |
Cholecystokinin A receptor
(Cavia porcellus) | BDBM50004436
(3-Acetylamino-N-[1-[1-({[1-{1-[1-(1-carbamoyl-2-ph...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)C(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C54H70N10O17S/c1-5-7-17-38(49(72)63-44(28-47(69)70)53(76)61-40(48(55)71)24-32-14-10-9-11-15-32)59-51(74)42(26-34-29-56-37-19-13-12-16-36(34)37)58-45(66)30-64(4)54(77)39(18-8-6-2)60-50(73)41(62-52(75)43(27-46(67)68)57-31(3)65)25-33-20-22-35(23-21-33)81-82(78,79)80/h9-16,19-23,29,38-44,56H,5-8,17-18,24-28,30H2,1-4H3,(H2,55,71)(H,57,65)(H,58,66)(H,59,74)(H,60,73)(H,61,76)(H,62,75)(H,63,72)(H,67,68)(H,69,70)(H,78,79,80)/t38-,39-,40-,41-,42-,43-,44-/m0/s1 | MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Hadassah-University Hospital
Curated by ChEMBL
| Assay Description
In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor |
J Med Chem 35: 2806-11 (1992)
Article DOI: 10.1021/jm00093a013
BindingDB Entry DOI: 10.7270/Q28C9V6B |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517355
(CHEMBL4471525)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(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](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.107 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517371
(CHEMBL4475304)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(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)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.107 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517331
(CHEMBL4467338)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]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Mus musculus) | BDBM50245186
(3-((S)-4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1C(=O)NC(C)C)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C38H39N5O5/c1-5-48-30-11-8-10-28(20-30)43-22-33(40-35(43)26-15-13-25(4)14-16-26)37(45)42-18-17-41(23-34(42)36(44)39-24(2)3)29-19-27-9-6-7-12-31(27)32(21-29)38(46)47/h6-16,19-22,24,34H,5,17-18,23H2,1-4H3,(H,39,44)(H,46,47)/t34-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Mus musculus) | BDBM50245205
(2-((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@H]1C(=O)NCC(O)=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C35H34N6O5/c1-3-46-28-9-6-8-26(18-28)41-21-30(38-33(41)24-13-11-23(2)12-14-24)35(45)40-16-15-39(22-31(40)34(44)37-20-32(42)43)27-17-25-7-4-5-10-29(25)36-19-27/h4-14,17-19,21,31H,3,15-16,20,22H2,1-2H3,(H,37,44)(H,42,43)/t31-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517356
(CHEMBL4557012)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](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.115 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517339
(CHEMBL4551834)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)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)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.115 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Mus musculus) | BDBM50343722
(3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2...)Show SMILES Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
Merck & Co. Inc
Curated by ChEMBL
| Assay Description
Agonist activity at mouse CCK1 receptor expressed in CHO Flip cells assessed as increase in radio labeled inositol phosphate accumulation by Wallac m... |
Bioorg Med Chem Lett 21: 2911-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50263186
((1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-tolyl...)Show SMILES Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C32H29N5O3/c1-22-6-8-23(9-7-22)31-34-28(21-37(31)25-10-11-29-30(19-25)40-17-16-39-29)32(38)36-14-12-35(13-15-36)26-18-24-4-2-3-5-27(24)33-20-26/h2-11,18-21H,12-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity against human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50380728
(CHEMBL2017835)Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R T3.28V, T3.29S mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis |
J Med Chem 58: 9562-77 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01110
BindingDB Entry DOI: 10.7270/Q29K4D33 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517362
(CHEMBL4565336)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)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)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.129 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50517384
(CHEMBL4443415)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](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.129 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1R 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 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Mus musculus) | BDBM50245189
(3-((R)-3-(acetamidomethyl)-4-(1-(3-ethoxyphenyl)-2...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1CNC(C)=O)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C37H36FN5O5/c1-4-48-29-10-7-9-26(18-29)43-22-34(40-35(43)31-13-12-23(2)16-33(31)38)36(45)42-15-14-41(21-28(42)20-39-24(3)44)27-17-25-8-5-6-11-30(25)32(19-27)37(46)47/h5-13,16-19,22,28H,4,14-15,20-21H2,1-3H3,(H,39,44)(H,46,47)/t28-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at mouse CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50245184
(3-((S)-4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazol...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNC(=O)NC)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C37H38N6O5/c1-4-48-30-10-7-9-27(19-30)43-23-33(40-34(43)25-14-12-24(2)13-15-25)35(44)42-17-16-41(22-29(42)21-39-37(47)38-3)28-18-26-8-5-6-11-31(26)32(20-28)36(45)46/h5-15,18-20,23,29H,4,16-17,21-22H2,1-3H3,(H,45,46)(H2,38,39,47)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Agonist activity at human CCK1 receptor |
Bioorg Med Chem Lett 18: 4833-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor
(Homo sapiens (Human)) | BDBM50263185
((1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H...)Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C32H30FN5O2/c1-3-40-26-9-6-8-24(19-26)38-21-30(35-31(38)27-12-11-22(2)17-28(27)33)32(39)37-15-13-36(14-16-37)25-18-23-7-4-5-10-29(23)34-20-25/h4-12,17-21H,3,13-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity against human CCK1 receptor |
Bioorg Med Chem Lett 18: 4393-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0 |
More data for this
Ligand-Target Pair | |
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