Found 427 hits of ic50 for UniProtKB: P32238 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cholecystokinin receptor type A
(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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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 |r| 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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting |
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 type A
(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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(Homo sapiens (Human)) | BDBM50517344
(CHEMBL4526455)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)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C91H137N13O27S/c1-6-7-32-68(89(121)104(5)75(55-83(114)115)90(122)103(4)74(84(92)116)52-62-29-23-22-24-30-62)100-87(119)72(53-65-56-95-67-33-28-27-31-66(65)67)98-78(107)57-96-85(117)70(50-61(2)3)101-86(118)71(51-63-36-38-64(39-37-63)60-132(125,126)127)102-88(120)73(54-82(112)113)99-80(109)59-131-49-47-129-45-43-94-79(108)58-130-48-46-128-44-42-93-76(105)41-40-69(91(123)124)97-77(106)34-25-20-18-16-14-12-10-8-9-11-13-15-17-19-21-26-35-81(110)111/h22-24,27-31,33,36-39,56,61,68-75,95H,6-21,25-26,32,34-35,40-55,57-60H2,1-5H3,(H2,92,116)(H,93,105)(H,94,108)(H,96,117)(H,97,106)(H,98,107)(H,99,109)(H,100,119)(H,101,118)(H,102,120)(H,110,111)(H,112,113)(H,114,115)(H,123,124)(H,125,126,127)/t68-,69-,70-,71-,72-,73-,74-,75+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0407 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(Homo sapiens (Human)) | BDBM50517358
(CHEMBL4585323)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)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C92H133N13O28S/c1-6-7-32-69(90(122)105(5)76(55-84(115)116)91(123)104(4)75(85(93)117)53-63-29-26-28-62-27-22-23-30-66(62)63)101-88(120)73(52-64-56-96-68-33-25-24-31-67(64)68)99-79(108)57-97-86(118)71(50-60(2)3)102-87(119)72(51-61-36-38-65(39-37-61)133-134(126,127)128)103-89(121)74(54-83(113)114)100-81(110)59-132-49-47-130-45-43-95-80(109)58-131-48-46-129-44-42-94-77(106)41-40-70(92(124)125)98-78(107)34-20-18-16-14-12-10-8-9-11-13-15-17-19-21-35-82(111)112/h22-31,33,36-39,56,60,69-76,96H,6-21,32,34-35,40-55,57-59H2,1-5H3,(H2,93,117)(H,94,106)(H,95,109)(H,97,118)(H,98,107)(H,99,108)(H,100,110)(H,101,120)(H,102,119)(H,103,121)(H,111,112)(H,113,114)(H,115,116)(H,124,125)(H,126,127,128)/t69-,70-,71-,72-,73-,74-,75-,76+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0427 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0447 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517353
(CHEMBL4525615)Show SMILES CSCC[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](CCSC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C86H127N13O28S3/c1-98(69(79(87)111)49-57-24-18-17-19-25-57)85(117)70(52-78(109)110)99(2)84(116)64(37-47-129-4)96-82(114)67(50-59-53-90-62-27-23-22-26-61(59)62)93-73(102)54-91-80(112)63(36-46-128-3)95-81(113)66(48-58-30-32-60(33-31-58)127-130(120,121)122)97-83(115)68(51-77(107)108)94-75(104)56-126-45-43-124-41-39-89-74(103)55-125-44-42-123-40-38-88-71(100)35-34-65(86(118)119)92-72(101)28-20-15-13-11-9-7-5-6-8-10-12-14-16-21-29-76(105)106/h17-19,22-27,30-33,53,63-70,90H,5-16,20-21,28-29,34-52,54-56H2,1-4H3,(H2,87,111)(H,88,100)(H,89,103)(H,91,112)(H,92,101)(H,93,102)(H,94,104)(H,95,113)(H,96,114)(H,97,115)(H,105,106)(H,107,108)(H,109,110)(H,118,119)(H,120,121,122)/t63-,64-,65-,66-,67-,68-,69-,70+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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 |r| 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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(Homo sapiens (Human)) | BDBM50517333
(CHEMBL4440419)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 |r| Show InChI InChI=1S/C89H133N13O27S/c1-5-7-31-66(83(115)94-56-76(105)96-70(52-63-55-93-65-33-27-26-30-64(63)65)85(117)99-67(32-8-6-2)87(119)102(4)73(54-81(112)113)88(120)101(3)72(82(90)114)51-60-28-22-21-23-29-60)98-84(116)69(50-61-36-38-62(39-37-61)59-130(123,124)125)100-86(118)71(53-80(110)111)97-78(107)58-129-49-47-127-45-43-92-77(106)57-128-48-46-126-44-42-91-74(103)41-40-68(89(121)122)95-75(104)34-24-19-17-15-13-11-9-10-12-14-16-18-20-25-35-79(108)109/h21-23,26-30,33,36-39,55,66-73,93H,5-20,24-25,31-32,34-35,40-54,56-59H2,1-4H3,(H2,90,114)(H,91,103)(H,92,106)(H,94,115)(H,95,104)(H,96,105)(H,97,107)(H,98,116)(H,99,117)(H,100,118)(H,108,109)(H,110,111)(H,112,113)(H,121,122)(H,123,124,125)/t66-,67-,68-,69-,70-,71-,72-,73+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0525 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(Homo sapiens (Human)) | BDBM50517373
(CHEMBL4514283)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)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C88H131N13O28S/c1-5-7-31-65(82(114)93-56-75(104)95-69(52-61-55-92-64-33-27-26-30-63(61)64)84(116)98-66(32-8-6-2)86(118)101(4)72(54-80(111)112)87(119)100(3)71(81(89)113)51-59-28-22-21-23-29-59)97-83(115)68(50-60-36-38-62(39-37-60)129-130(122,123)124)99-85(117)70(53-79(109)110)96-77(106)58-128-49-47-126-45-43-91-76(105)57-127-48-46-125-44-42-90-73(102)41-40-67(88(120)121)94-74(103)34-24-19-17-15-13-11-9-10-12-14-16-18-20-25-35-78(107)108/h21-23,26-30,33,36-39,55,65-72,92H,5-20,24-25,31-32,34-35,40-54,56-58H2,1-4H3,(H2,89,113)(H,90,102)(H,91,105)(H,93,114)(H,94,103)(H,95,104)(H,96,106)(H,97,115)(H,98,116)(H,99,117)(H,107,108)(H,109,110)(H,111,112)(H,120,121)(H,122,123,124)/t65-,66-,67-,68-,69-,70-,71-,72+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0603 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517378
(CHEMBL4440303)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)[C@H](CCCCN)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 |r| Show InChI InChI=1S/C101H156N16O31S/c1-5-7-33-76(95(132)108-64-86(120)111-80(60-72-63-107-74-35-27-26-32-73(72)74)97(134)114-77(34-8-6-2)99(136)117(4)83(62-92(128)129)100(137)116(3)82(93(103)130)59-69-30-22-21-23-31-69)113-96(133)79(58-70-39-41-71(42-40-70)68-149(140,141)142)115-98(135)81(61-91(126)127)112-89(123)67-148-57-54-145-51-48-106-94(131)75(36-28-29-45-102)109-88(122)66-147-56-53-144-50-47-105-87(121)65-146-55-52-143-49-46-104-84(118)44-43-78(101(138)139)110-85(119)37-24-19-17-15-13-11-9-10-12-14-16-18-20-25-38-90(124)125/h21-23,26-27,30-32,35,39-42,63,75-83,107H,5-20,24-25,28-29,33-34,36-38,43-62,64-68,102H2,1-4H3,(H2,103,130)(H,104,118)(H,105,121)(H,106,131)(H,108,132)(H,109,122)(H,110,119)(H,111,120)(H,112,123)(H,113,133)(H,114,134)(H,115,135)(H,124,125)(H,126,127)(H,128,129)(H,138,139)(H,140,141,142)/t75-,76-,77-,78-,79-,80-,81-,82-,83+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517375
(CHEMBL4483457)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)CNC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C90H134N14O29S/c1-5-6-31-68(88(122)104(4)74(56-82(115)116)89(123)103(3)73(83(91)117)52-61-28-20-19-21-29-61)101-86(120)71(54-64-53-63-30-24-25-32-66(63)97-64)99-77(108)57-95-84(118)67(100-85(119)70(102-87(121)72(55-81(113)114)96-60(2)105)51-62-36-38-65(39-37-62)133-134(126,127)128)33-26-27-42-92-78(109)58-131-49-48-130-46-44-94-79(110)59-132-50-47-129-45-43-93-75(106)41-40-69(90(124)125)98-76(107)34-22-17-15-13-11-9-7-8-10-12-14-16-18-23-35-80(111)112/h19-21,24-25,28-30,32,36-39,53,67-74,97H,5-18,22-23,26-27,31,33-35,40-52,54-59H2,1-4H3,(H2,91,117)(H,92,109)(H,93,106)(H,94,110)(H,95,118)(H,96,105)(H,98,107)(H,99,108)(H,100,119)(H,101,120)(H,102,121)(H,111,112)(H,113,114)(H,115,116)(H,124,125)(H,126,127,128)/t67-,68-,69-,70-,71-,72-,73-,74+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0646 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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 |r| 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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(Homo sapiens (Human)) | BDBM50517368
(CHEMBL4441596)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)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C91H131N13O28S/c1-4-6-32-68(85(117)96-57-78(107)98-73(53-63-56-95-67-34-25-24-31-66(63)67)87(119)101-69(33-7-5-2)90(122)104(3)75(55-83(114)115)89(121)102-71(84(92)116)52-62-29-26-28-61-27-22-23-30-65(61)62)100-86(118)72(51-60-37-39-64(40-38-60)132-133(125,126)127)103-88(120)74(54-82(112)113)99-80(109)59-131-50-48-129-46-44-94-79(108)58-130-49-47-128-45-43-93-76(105)42-41-70(91(123)124)97-77(106)35-20-18-16-14-12-10-8-9-11-13-15-17-19-21-36-81(110)111/h22-31,34,37-40,56,68-75,95H,4-21,32-33,35-36,41-55,57-59H2,1-3H3,(H2,92,116)(H,93,105)(H,94,108)(H,96,117)(H,97,106)(H,98,107)(H,99,109)(H,100,118)(H,101,119)(H,102,121)(H,103,120)(H,110,111)(H,112,113)(H,114,115)(H,123,124)(H,125,126,127)/t68-,69-,70-,71-,72-,73-,74-,75+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0741 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517349
(CHEMBL4583158)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)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C88H131N13O28S/c1-6-7-30-65(86(118)101(5)72(53-80(111)112)87(119)100(4)71(81(89)113)50-59-27-21-20-22-28-59)97-84(116)69(51-61-54-92-64-31-26-25-29-63(61)64)95-75(104)55-93-82(114)67(48-58(2)3)98-83(115)68(49-60-34-36-62(37-35-60)129-130(122,123)124)99-85(117)70(52-79(109)110)96-77(106)57-128-47-45-126-43-41-91-76(105)56-127-46-44-125-42-40-90-73(102)39-38-66(88(120)121)94-74(103)32-23-18-16-14-12-10-8-9-11-13-15-17-19-24-33-78(107)108/h20-22,25-29,31,34-37,54,58,65-72,92H,6-19,23-24,30,32-33,38-53,55-57H2,1-5H3,(H2,89,113)(H,90,102)(H,91,105)(H,93,114)(H,94,103)(H,95,104)(H,96,106)(H,97,116)(H,98,115)(H,99,117)(H,107,108)(H,109,110)(H,111,112)(H,120,121)(H,122,123,124)/t65-,66-,67-,68-,69-,70-,71-,72+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0741 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517382
(CHEMBL4563364)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](Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C90H129N13O28S/c1-3-5-31-67(84(116)95-56-77(106)97-72(52-62-55-94-66-33-24-23-30-65(62)66)87(119)100-68(32-6-4-2)85(117)103-74(54-82(113)114)89(121)101-70(83(91)115)51-61-28-25-27-60-26-21-22-29-64(60)61)99-86(118)71(50-59-36-38-63(39-37-59)131-132(124,125)126)102-88(120)73(53-81(111)112)98-79(108)58-130-49-47-128-45-43-93-78(107)57-129-48-46-127-44-42-92-75(104)41-40-69(90(122)123)96-76(105)34-19-17-15-13-11-9-7-8-10-12-14-16-18-20-35-80(109)110/h21-30,33,36-39,55,67-74,94H,3-20,31-32,34-35,40-54,56-58H2,1-2H3,(H2,91,115)(H,92,104)(H,93,107)(H,95,116)(H,96,105)(H,97,106)(H,98,108)(H,99,118)(H,100,119)(H,101,121)(H,102,120)(H,103,117)(H,109,110)(H,111,112)(H,113,114)(H,122,123)(H,124,125,126)/t67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0759 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517357
(CHEMBL4568746)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)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C91H131N13O28S/c1-4-6-32-68(85(117)96-57-78(107)98-73(53-63-56-95-67-34-25-24-31-66(63)67)87(119)101-69(33-7-5-2)90(122)104(3)75(55-83(114)115)89(121)102-71(84(92)116)52-62-29-26-28-61-27-22-23-30-65(61)62)100-86(118)72(51-60-37-39-64(40-38-60)132-133(125,126)127)103-88(120)74(54-82(112)113)99-80(109)59-131-50-48-129-46-44-94-79(108)58-130-49-47-128-45-43-93-76(105)42-41-70(91(123)124)97-77(106)35-20-18-16-14-12-10-8-9-11-13-15-17-19-21-36-81(110)111/h22-31,34,37-40,56,68-75,95H,4-21,32-33,35-36,41-55,57-59H2,1-3H3,(H2,92,116)(H,93,105)(H,94,108)(H,96,117)(H,97,106)(H,98,107)(H,99,109)(H,100,118)(H,101,119)(H,102,121)(H,103,120)(H,110,111)(H,112,113)(H,114,115)(H,123,124)(H,125,126,127)/t68-,69-,70-,71-,72-,73-,74-,75-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517361
(CHEMBL4534977)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(O)(=O)=O)cc1)NC(=O)C[C@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(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 |r| Show InChI InChI=1S/C89H133N13O27S/c1-5-7-31-66(83(114)94-56-77(106)97-70(52-63-55-93-65-33-27-26-30-64(63)65)85(116)100-67(32-8-6-2)86(117)102(4)73(54-81(111)112)87(118)101(3)72(82(90)113)51-60-28-22-21-23-29-60)99-84(115)69(50-61-36-38-62(39-37-61)59-130(123,124)125)96-76(105)53-71(89(121)122)98-79(108)58-129-49-47-127-45-43-92-78(107)57-128-48-46-126-44-42-91-74(103)41-40-68(88(119)120)95-75(104)34-24-19-17-15-13-11-9-10-12-14-16-18-20-25-35-80(109)110/h21-23,26-30,33,36-39,55,66-73,93H,5-20,24-25,31-32,34-35,40-54,56-59H2,1-4H3,(H2,90,113)(H,91,103)(H,92,107)(H,94,114)(H,95,104)(H,96,105)(H,97,106)(H,98,108)(H,99,115)(H,100,116)(H,109,110)(H,111,112)(H,119,120)(H,121,122)(H,123,124,125)/t66-,67-,68-,69-,70-,71-,72-,73+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50005463
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of cholecystokinin A receptor (unknown origin) |
J Nat Prod 61: 1053-71 (1998)
Article DOI: 10.1021/np9800102
BindingDB Entry DOI: 10.7270/Q21Z446F |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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 |r| 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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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 |r| 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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(Homo sapiens (Human)) | BDBM50005463
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonistic activity against cholecystokinin type A receptor |
J Med Chem 36: 2051-8 (1993)
BindingDB Entry DOI: 10.7270/Q2NP2524 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(Homo sapiens (Human)) | BDBM50517376
(CHEMBL4473468)Show SMILES CC(C)C[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](CCC(N)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C87H128N14O29S/c1-56(2)46-65(81(115)93-53-74(105)95-67(49-59-52-92-62-27-23-22-26-61(59)62)83(117)97-63(34-36-71(88)102)85(119)101(4)70(51-79(112)113)86(120)100(3)69(80(89)114)48-57-24-18-17-19-25-57)98-82(116)66(47-58-30-32-60(33-31-58)130-131(123,124)125)99-84(118)68(50-78(110)111)96-76(107)55-129-45-43-127-41-39-91-75(106)54-128-44-42-126-40-38-90-72(103)37-35-64(87(121)122)94-73(104)28-20-15-13-11-9-7-5-6-8-10-12-14-16-21-29-77(108)109/h17-19,22-27,30-33,52,56,63-70,92H,5-16,20-21,28-29,34-51,53-55H2,1-4H3,(H2,88,102)(H2,89,114)(H,90,103)(H,91,106)(H,93,115)(H,94,104)(H,95,105)(H,96,107)(H,97,117)(H,98,116)(H,99,118)(H,108,109)(H,110,111)(H,112,113)(H,121,122)(H,123,124,125)/t63-,64-,65-,66-,67-,68-,69-,70+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0832 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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 |r| Show InChI InChI=1S/C87H129N13O28S/c1-5-6-29-64(82(114)99-70(52-79(110)111)86(118)100(4)71(80(88)112)49-58-26-20-19-21-27-58)96-84(116)68(50-60-53-91-63-30-25-24-28-62(60)63)94-74(103)54-92-81(113)66(47-57(2)3)97-83(115)67(48-59-33-35-61(36-34-59)128-129(121,122)123)98-85(117)69(51-78(108)109)95-76(105)56-127-46-44-125-42-40-90-75(104)55-126-45-43-124-41-39-89-72(101)38-37-65(87(119)120)93-73(102)31-22-17-15-13-11-9-7-8-10-12-14-16-18-23-32-77(106)107/h19-21,24-28,30,33-36,53,57,64-71,91H,5-18,22-23,29,31-32,37-52,54-56H2,1-4H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,116)(H,97,115)(H,98,117)(H,99,114)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0871 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517363
(CHEMBL4471871)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)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C87H129N13O28S/c1-5-6-29-64(86(118)100(4)71(52-79(110)111)85(117)97-66(80(88)112)48-58-26-20-19-21-27-58)96-83(115)69(50-60-53-91-63-30-25-24-28-62(60)63)94-74(103)54-92-81(113)67(47-57(2)3)98-82(114)68(49-59-33-35-61(36-34-59)128-129(121,122)123)99-84(116)70(51-78(108)109)95-76(105)56-127-46-44-125-42-40-90-75(104)55-126-45-43-124-41-39-89-72(101)38-37-65(87(119)120)93-73(102)31-22-17-15-13-11-9-7-8-10-12-14-16-18-23-32-77(106)107/h19-21,24-28,30,33-36,53,57,64-71,91H,5-18,22-23,29,31-32,37-52,54-56H2,1-4H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,115)(H,97,117)(H,98,114)(H,99,116)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0891 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(Homo sapiens (Human)) | BDBM50517340
(CHEMBL4550876)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)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C87H129N13O28S/c1-5-6-29-64(86(118)100(4)71(52-79(110)111)85(117)97-66(80(88)112)48-58-26-20-19-21-27-58)96-83(115)69(50-60-53-91-63-30-25-24-28-62(60)63)94-74(103)54-92-81(113)67(47-57(2)3)98-82(114)68(49-59-33-35-61(36-34-59)128-129(121,122)123)99-84(116)70(51-78(108)109)95-76(105)56-127-46-44-125-42-40-90-75(104)55-126-45-43-124-41-39-89-72(101)38-37-65(87(119)120)93-73(102)31-22-17-15-13-11-9-7-8-10-12-14-16-18-23-32-77(106)107/h19-21,24-28,30,33-36,53,57,64-71,91H,5-18,22-23,29,31-32,37-52,54-56H2,1-4H3,(H2,88,112)(H,89,101)(H,90,104)(H,92,113)(H,93,102)(H,94,103)(H,95,105)(H,96,115)(H,97,117)(H,98,114)(H,99,116)(H,106,107)(H,108,109)(H,110,111)(H,119,120)(H,121,122,123)/t64-,65-,66-,67-,68-,69-,70-,71+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0977 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517346
(CHEMBL4467402)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)CCCCCCCCCCCCCCCCC(O)=O)C(=O)N(C)[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C71H102N10O19S/c1-6-7-30-53(70(95)81(5)59(43-64(88)89)71(96)80(4)58(65(72)90)40-47-27-21-20-22-28-47)77-68(93)56(41-49-44-73-52-31-26-25-29-51(49)52)76-61(83)45-74-66(91)54(38-46(2)3)78-67(92)55(39-48-34-36-50(37-35-48)100-101(97,98)99)79-69(94)57(42-63(86)87)75-60(82)32-23-18-16-14-12-10-8-9-11-13-15-17-19-24-33-62(84)85/h20-22,25-29,31,34-37,44,46,53-59,73H,6-19,23-24,30,32-33,38-43,45H2,1-5H3,(H2,72,90)(H,74,91)(H,75,82)(H,76,83)(H,77,93)(H,78,92)(H,79,94)(H,84,85)(H,86,87)(H,88,89)(H,97,98,99)/t53-,54-,55-,56-,57-,58-,59+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.107 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517345
(CHEMBL4444353)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=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 |r| Show InChI InChI=1S/C122H199N13O44S/c1-5-7-31-99(116(148)127-92-111(140)130-103(88-95-91-126-98-33-27-26-30-97(95)98)118(150)132-100(32-8-6-2)120(152)135(4)106(90-114(145)146)121(153)134(3)105(115(123)147)87-93-28-22-21-23-29-93)131-117(149)102(86-94-36-38-96(39-37-94)179-180(156,157)158)133-119(151)104(89-113(143)144)129-110(139)43-47-160-51-55-164-59-63-168-67-71-172-75-79-176-83-85-178-81-77-174-73-69-170-65-61-166-57-53-162-49-45-125-108(137)42-46-159-50-54-163-58-62-167-66-70-171-74-78-175-82-84-177-80-76-173-72-68-169-64-60-165-56-52-161-48-44-124-107(136)41-40-101(122(154)155)128-109(138)34-24-19-17-15-13-11-9-10-12-14-16-18-20-25-35-112(141)142/h21-23,26-30,33,36-39,91,99-106,126H,5-20,24-25,31-32,34-35,40-90,92H2,1-4H3,(H2,123,147)(H,124,136)(H,125,137)(H,127,148)(H,128,138)(H,129,139)(H,130,140)(H,131,149)(H,132,150)(H,133,151)(H,141,142)(H,143,144)(H,145,146)(H,154,155)(H,156,157,158)/t99-,100-,101-,102-,103-,104-,105-,106+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.112 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50517377
(CHEMBL4445529)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)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1cccc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C92H133N13O28S/c1-6-7-32-69(90(122)105(5)76(55-84(115)116)91(123)104(4)75(85(93)117)53-63-29-26-28-62-27-22-23-30-66(62)63)101-88(120)73(52-64-56-96-68-33-25-24-31-67(64)68)99-79(108)57-97-86(118)71(50-60(2)3)102-87(119)72(51-61-36-38-65(39-37-61)133-134(126,127)128)103-89(121)74(54-83(113)114)100-81(110)59-132-49-47-130-45-43-95-80(109)58-131-48-46-129-44-42-94-77(106)41-40-70(92(124)125)98-78(107)34-20-18-16-14-12-10-8-9-11-13-15-17-19-21-35-82(111)112/h22-31,33,36-39,56,60,69-76,96H,6-21,32,34-35,40-55,57-59H2,1-5H3,(H2,93,117)(H,94,106)(H,95,109)(H,97,118)(H,98,107)(H,99,108)(H,100,110)(H,101,120)(H,102,119)(H,103,121)(H,111,112)(H,113,114)(H,115,116)(H,124,125)(H,126,127,128)/t69-,70-,71-,72-,73-,74-,75-,76-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.115 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay |
J Med Chem 62: 1407-1419 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01558
BindingDB Entry DOI: 10.7270/Q2K64NF5 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263225
((1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-fluo...)Show SMILES Fc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1 Show InChI InChI=1S/C31H26FN5O3/c32-23-7-5-21(6-8-23)30-34-27(20-37(30)24-9-10-28-29(18-24)40-16-15-39-28)31(38)36-13-11-35(12-14-36)25-17-22-3-1-2-4-26(22)33-19-25/h1-10,17-20H,11-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(Homo sapiens (Human)) | BDBM392076
(US10301272, Example 7/9)Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)| Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description
Displacement of [125I]CCK-8s from human recombinant CCK1 receptor after 60 mins by scintillation counting analysis |
Bioorg Med Chem Lett 28: 1446-1455 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.093
BindingDB Entry DOI: 10.7270/Q27W6FPC |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of 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 type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [125I]CCK-8s from human recombinant CCK1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method |
Bioorg Med Chem 25: 471-482 (2017)
Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [125I]CCK-8s from human recombinant CCK-A receptor expressed in CHO cells |
Bioorg Med Chem 24: 1793-810 (2016)
Article DOI: 10.1016/j.bmc.2016.03.006
BindingDB Entry DOI: 10.7270/Q2J67JS7 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50263228
(3-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-...)Show SMILES Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H30N4O5/c1-22-6-8-23(9-7-22)32-35-29(21-38(32)25-10-11-30-31(20-25)43-17-16-42-30)33(39)37-14-12-36(13-15-37)26-18-24-4-2-3-5-27(24)28(19-26)34(40)41/h2-11,18-21H,12-17H2,1H3,(H,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 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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