Found 213 hits with Last Name = 'ratcliffe' and Initial = 'gs' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062005
((S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50281663
(10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(...)Show SMILES CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against Opioid receptor kappa 1 |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B 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
KEGG
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CHEMBL
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MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Cholecystokinin type B receptor |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230677
(CHEMBL3351022)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1 |wD:1.1,30.43,1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:20:21:16:19.18.25,20:19:16:21.22.23,18:17:23:19.25.20,(13.63,-4.94,;12.13,-5.3,;10.64,-5.67,;9.57,-4.55,;9.85,-3.04,;8.49,-2.31,;7.38,-3.37,;5.84,-3.25,;4.98,-4.53,;5.64,-5.91,;7.18,-6.03,;8.05,-4.76,;11.77,-3.81,;12.88,-2.74,;14.36,-3.18,;12.52,-1.25,;13.63,-.18,;14.47,1.29,;14.47,2.69,;15.85,3.38,;17.22,2.69,;17.22,1.29,;15.85,.59,;16.38,-.18,;15.01,.51,;15.01,1.91,;12.5,-6.8,;13.97,-7.23,;11.38,-7.86,;11.75,-9.36,;10.63,-10.42,;10.99,-11.92,;9.88,-12.98,;8.4,-12.55,;10.24,-14.48,;9.13,-15.54,;9.49,-17.04,;10.97,-17.47,;8.38,-18.1,;9.15,-9.99,;8.04,-11.05,;6.56,-10.62,;6.2,-9.12,;7.31,-8.06,;8.79,-8.49,)| Show InChI InChI=1S/C35H40N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/b12-11+/t21?,22?,24?,25?,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.513 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230683
(CHEMBL3351024)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)\C=C\C(O)=O)Cc1ccccc1 |wU:29.43,wD:1.1,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:15:16:25:21.23.20,20:21:16:19.18.25,20:19:16:21.23.22,(12.45,-4.16,;10.95,-4.52,;9.45,-4.88,;8.39,-3.77,;8.67,-2.25,;7.31,-1.52,;6.2,-2.59,;4.66,-2.47,;3.79,-3.74,;4.46,-5.13,;6,-5.25,;6.86,-3.97,;10.59,-3.02,;11.7,-1.96,;13.18,-2.39,;11.34,-.46,;12.45,.6,;13.29,2.07,;14.66,1.38,;16.04,2.07,;16.04,3.47,;14.66,4.17,;13.29,3.47,;13.82,2.69,;13.82,1.3,;15.2,.6,;11.31,-6.02,;12.79,-6.45,;10.2,-7.08,;10.56,-8.58,;9.45,-9.64,;9.81,-11.14,;8.7,-12.2,;7.22,-11.76,;9.06,-13.69,;7.95,-14.76,;8.31,-16.25,;9.79,-16.69,;7.2,-17.32,;12.04,-9.01,;12.4,-10.51,;13.88,-10.94,;14.25,-12.44,;13.13,-13.5,;11.65,-13.06,;11.29,-11.57,)| Show InChI InChI=1S/C36H42N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/b12-11+/t23?,24?,25?,26?,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50281663
(10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(...)Show SMILES CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against mu opioid receptor |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230676
(CHEMBL3351013)Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)\C=C\C(O)=O)Cc1ccccc1 Show InChI InChI=1S/C33H40N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,16-17,20,22,25,28,34H,6,9-10,15,18-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/b17-16+/t22-,25+,28-,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230678
(CHEMBL287735)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:1.1,30.35,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(10.04,-3.61,;10.44,-2.12,;11.77,-2.89,;11.76,-4.44,;10.49,-5.31,;10.97,-6.79,;12.51,-6.79,;13.53,-7.95,;15.04,-7.63,;15.52,-6.17,;14.49,-5.02,;12.99,-5.35,;8.93,-1.81,;7.92,-2.97,;8.4,-4.44,;6.4,-2.68,;5.38,-3.84,;3.89,-3.61,;2.73,-4.41,;3.13,-5.83,;2.32,-7.36,;3.64,-6.59,;3.22,-5.06,;5.15,-6.76,;5.78,-5.3,;4.53,-5.98,;11.45,-.96,;10.97,.5,;12.96,-1.26,;13.99,-.11,;15.5,-.4,;16,-1.87,;17.52,-2.19,;18.01,-3.64,;18.52,-1.03,;20.03,-1.33,;21.06,-.17,;22.57,-.46,;20.57,1.31,;16.53,.74,;16.02,2.21,;17.04,3.36,;18.55,3.05,;19.06,1.6,;18.04,.44,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
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Similars
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50281632
((2S)-1-{(2S)-2-[(lambda~4~-sulfanylmethyl)amino]pr...)Show InChI InChI=1S/C9H16N2O3S/c1-6(10-5-15)8(12)11-4-2-3-7(11)9(13)14/h6-7,10,15H,2-5H2,1H3,(H,13,14)/t6-,7-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Angiotensin I converting enzyme |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50281634
(3-{(R)-2-Amino-2-[(R)-2-(3-carboxy-propionylamino)...)Show SMILES C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:30.35,1.0,wD:1.1,TLB:16:11:19:15.17.14,16:15:10.11.12:19,THB:9:10:19:15.17.14,14:13:10:15.17.16,14:15:10:13.12.19,(2.53,-5.38,;2.53,-3.85,;1.17,-4.57,;2.6,-2.31,;1.29,-1.47,;-.16,-2.01,;-1.11,-.84,;-2.46,-1.57,;-2.49,-3.1,;-3.77,-.78,;-5.12,-1.52,;-5.28,-2.91,;-6.8,-3.17,;-8.17,-2.48,;-9.27,-3.57,;-7.75,-3.24,;-6.4,-3.99,;-7.61,-1.7,;-6.43,-.73,;-7.94,-.96,;-.27,.47,;-.69,1.95,;.4,3.03,;1.9,2.63,;2.29,1.17,;1.2,.07,;3.83,-4.67,;3.76,-6.22,;5.21,-3.96,;6.49,-4.78,;7.86,-4.06,;9.17,-4.89,;10.52,-4.17,;10.59,-2.63,;11.82,-5,;13.18,-4.29,;14.48,-5.1,;15.86,-4.39,;14.48,-6.64,;7.91,-2.54,;9.24,-1.72,;9.19,-.17,;7.84,.54,;6.53,-.28,;6.58,-1.79,)| Show InChI InChI=1S/C35H42N4O6/c1-35(36,33(43)37-19-28(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42)18-26-20-39(29-10-6-5-9-27(26)29)34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21/h2-10,20-22,24-25,28,32H,11-19,36H2,1H3,(H,37,43)(H,38,40)(H,41,42)/t21?,22?,24?,25?,28-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Cholecystokinin type B receptor |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230680
(CHEMBL3350364)Show SMILES [H][C@]12CC[C@@](C)([C@H](C1)OC(=O)N[C@](C)(Cc1c[nH]c3ccccc13)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)C2(C)C |TLB:8:6:3.2:43| Show InChI InChI=1S/C35H44N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-13,20,24,27-28,36H,14-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t24-,27-,28-,34-,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
PC cid
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230681
(CHEMBL3351023)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@H]1CC2CCC1(C)C2(C)C)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1 |THB:15:16:23:20.19| Show InChI InChI=1S/C35H42N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-15,20,24,27-28,36H,16-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/b15-14+/t24?,27-,28-,34?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50281633
(3-[(R)-2-Amino-2-((S)-1-benzyl-2-carboxy-ethylcarb...)Show SMILES C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:29.33,1.1,TLB:12:13:10.11.16:17,9:10:17:13.19.14,THB:12:11:17:13.19.14,14:15:10:13.12.19,14:13:10:15.16.17,(17.69,-2.7,;17.7,-1.17,;16.35,-1.89,;17.77,.37,;16.46,1.21,;15.02,.67,;14.06,1.84,;12.71,1.11,;12.69,-.4,;11.41,1.9,;10.05,1.16,;8.75,1.95,;7.23,1.72,;7,.2,;5.91,-.89,;7.42,-.56,;7.56,.98,;8.77,-1.31,;9.89,-.23,;8.38,-.49,;14.9,3.15,;14.48,4.63,;15.58,5.71,;17.07,5.31,;17.47,3.85,;16.37,2.75,;19,-1.99,;18.93,-3.54,;20.38,-1.28,;21.66,-2.1,;23.03,-1.38,;24.32,-2.2,;25.69,-1.48,;24.26,-3.74,;21.65,-4.65,;22.94,-5.48,;24.3,-4.76,;25.6,-5.57,;25.55,-7.12,;24.18,-7.82,;22.87,-7.02,)| Show InChI InChI=1S/C33H39N3O5/c1-33(34,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)18-25-19-36(28-10-6-5-9-27(25)28)32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30H,11-18,34H2,1H3,(H,35,39)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against CCK-A receptor |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230689
(CHEMBL3351018)Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C32H40N4O6/c1-21-10-6-9-15-27(21)42-31(41)36-32(2,18-23-19-33-25-14-8-7-13-24(23)25)30(40)34-20-26(22-11-4-3-5-12-22)35-28(37)16-17-29(38)39/h3-5,7-8,11-14,19,21,26-27,33H,6,9-10,15-18,20H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/t21-,26+,27-,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230687
(CHEMBL3351021)Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1 Show InChI InChI=1S/C32H38N4O6/c1-21-10-6-9-15-27(21)42-31(41)36-32(2,18-23-19-33-25-14-8-7-13-24(23)25)30(40)34-20-26(22-11-4-3-5-12-22)35-28(37)16-17-29(38)39/h3-5,7-8,11-14,16-17,19,21,26-27,33H,6,9-10,15,18,20H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/b17-16+/t21-,26+,27-,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230684
(CHEMBL353157 | PD-135118)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:29.34,1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,15:16:21.23.22:19.18.25,20:21:16:19.18.25,20:19:16:21.23.22,(3.3,-9.92,;4.62,-10.71,;5.96,-9.95,;5.97,-8.41,;5.07,-7.17,;5.98,-5.93,;7.45,-6.4,;8.77,-5.63,;10.11,-6.4,;10.11,-7.94,;8.77,-8.71,;7.44,-7.94,;3.27,-11.46,;1.94,-10.69,;1.97,-9.15,;.61,-11.44,;-.93,-11.44,;-.74,-13,;-1.6,-14.43,;-3.12,-14.03,;-4.59,-14.66,;-3.54,-13.21,;-2.12,-13.53,;-3.73,-11.69,;-2.42,-11.04,;-3.33,-12.42,;5.95,-11.48,;5.93,-13.02,;7.28,-10.71,;8.61,-11.48,;8.61,-13.02,;7.28,-13.79,;7.26,-15.33,;5.93,-16.1,;8.61,-16.1,;8.59,-17.64,;9.94,-18.41,;9.92,-19.95,;11.27,-17.64,;9.95,-10.71,;11.28,-11.48,;11.28,-13.02,;12.61,-13.79,;13.94,-13.02,;13.94,-11.46,;12.61,-10.71,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23?,24?,25?,26?,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061988
(CHEMBL138657 | [(R)-1-((S)-1-Hydroxymethyl-2-pheny...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(-.04,-8.98,;-.02,-10.34,;.05,-11.88,;1.42,-12.58,;.17,-13.49,;.65,-14.96,;2.19,-14.95,;3.2,-16.09,;4.71,-15.77,;5.18,-14.3,;4.16,-13.18,;2.67,-13.49,;-1.41,-9.83,;-2.7,-10.68,;-2.67,-12.13,;-4.07,-9.99,;-5.36,-10.84,;-5.36,-12.37,;-6.76,-12.72,;-8.08,-12.23,;-9.28,-13.5,;-7.78,-13.08,;-6.38,-13.65,;-7.79,-11.5,;-6.75,-10.27,;-8.11,-10.75,;1.24,-9.66,;1.24,-8.29,;2.62,-10.35,;3.9,-9.5,;3.81,-7.96,;4.58,-6.63,;5.28,-10.19,;6.56,-9.34,;6.48,-7.96,;7.74,-6.96,;9.13,-7.63,;9.22,-9.17,;7.94,-10.03,)| Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21?,22?,23?,24?,26-,29?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061990
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.13,29.33,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230666
(CHEMBL3351025)Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 Show InChI InChI=1S/C33H42N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,20,22,25,28,34H,6,9-10,15-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/t22-,25+,28-,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50073727
((S)-3-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.1,29.33,wD:1.0,TLB:25:24:22:19.18.20,15:16:19.18.25:21.22.23,THB:25:19:22:16.24.23,20:19:16:21.22.23,20:21:16:19.18.25,15:16:22:19.18.20,(11.44,-4.79,;12.24,-6.15,;10.69,-6.15,;9.93,-7.51,;10.42,-8.97,;9.17,-9.86,;7.93,-8.97,;6.43,-9.3,;5.41,-8.14,;5.87,-6.68,;7.37,-6.35,;8.4,-7.51,;13.8,-9.46,;15.33,-9.46,;16.12,-8.1,;16.12,-10.79,;17.98,-11.52,;17.89,-13.08,;19.44,-13.68,;21,-13.15,;21.89,-14.47,;20.27,-13.74,;18.81,-14.24,;20.3,-12.28,;19.48,-11.02,;21.07,-11.59,;13,-4.82,;12.24,-3.49,;14.54,-4.82,;15.3,-3.46,;16.85,-3.46,;17.61,-4.79,;19.14,-4.79,;16.85,-6.11,;14.53,-2.13,;15.29,-.81,;14.49,.52,;15.26,1.85,;16.79,1.85,;17.58,.52,;16.82,-.81,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230665
(CHEMBL3350395)Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C29H37N3O4/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35)/t20-,23+,26-,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230688
(CHEMBL3351019)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1CC2CCC1(C)C2(C)C)C(=O)N[C@H](CO)Cc1ccccc1 |TLB:15:16:23:20.19| Show InChI InChI=1S/C32H41N3O4/c1-30(2)23-14-15-31(30,3)27(17-23)39-29(38)35-32(4,18-22-19-33-26-13-9-8-12-25(22)26)28(37)34-24(20-36)16-21-10-6-5-7-11-21/h5-13,19,23-24,27,33,36H,14-18,20H2,1-4H3,(H,34,37)(H,35,38)/t23?,24-,27?,31?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230665
(CHEMBL3350395)Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C29H37N3O4/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35)/t20-,23+,26-,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230682
(CHEMBL3351017)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](CO)Cc1ccccc1 |TLB:23:18:25:22.24.21,23:22:25:18.17.19,THB:21:22:17:20.25.19,21:20:17:22.24.23| Show InChI InChI=1S/C32H39N3O4/c1-31(18-25-19-33-28-10-6-5-9-27(25)28,29(37)34-26(20-36)14-21-7-3-2-4-8-21)35-30(38)39-32-15-22-11-23(16-32)13-24(12-22)17-32/h2-10,19,22-24,26,33,36H,11-18,20H2,1H3,(H,34,37)(H,35,38)/t22?,23?,24?,26-,31+,32?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50289879
(CHEMBL62205 | [(S)-2-(1H-Indol-3-yl)-1-methyl-1-ph...)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |wU:1.0,wD:1.13,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.23.22,20:21:16:19.18.25,15:16:25:21.23.20,(5.32,1.29,;5.32,-.26,;5.74,-1.74,;5.33,-3.23,;4.22,-4.1,;4.45,-5.49,;5.76,-5.99,;5.97,-7.37,;7.27,-7.88,;8.37,-7,;8.14,-5.62,;6.85,-5.12,;3.98,-1.04,;2.65,-.29,;2.64,1.25,;1.32,-1.06,;-.02,-1.83,;-1.35,-1.06,;-1.92,-2.3,;-1.92,-4.71,;-3.5,-4.99,;-2.68,-3.37,;-2.68,-1.83,;-1.35,-4.15,;-.02,-3.37,;-.4,-5.17,;6.67,-1.01,;6.69,-2.56,;8,-.23,;9.34,-.99,;10.67,-.21,;12.02,-.97,;13.34,-.17,;14.67,-.94,;14.69,-2.49,;13.36,-3.27,;12.03,-2.51,)| Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21?,22?,23?,24?,28?,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50289879
(CHEMBL62205 | [(S)-2-(1H-Indol-3-yl)-1-methyl-1-ph...)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |wU:1.0,wD:1.13,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.23.22,20:21:16:19.18.25,15:16:25:21.23.20,(5.32,1.29,;5.32,-.26,;5.74,-1.74,;5.33,-3.23,;4.22,-4.1,;4.45,-5.49,;5.76,-5.99,;5.97,-7.37,;7.27,-7.88,;8.37,-7,;8.14,-5.62,;6.85,-5.12,;3.98,-1.04,;2.65,-.29,;2.64,1.25,;1.32,-1.06,;-.02,-1.83,;-1.35,-1.06,;-1.92,-2.3,;-1.92,-4.71,;-3.5,-4.99,;-2.68,-3.37,;-2.68,-1.83,;-1.35,-4.15,;-.02,-3.37,;-.4,-5.17,;6.67,-1.01,;6.69,-2.56,;8,-.23,;9.34,-.99,;10.67,-.21,;12.02,-.97,;13.34,-.17,;14.67,-.94,;14.69,-2.49,;13.36,-3.27,;12.03,-2.51,)| Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21?,22?,23?,24?,28?,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 21.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230671
(CHEMBL282056)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(5.09,-3.82,;5.42,-5.34,;5.33,-6.89,;5.94,-8.29,;5.14,-9.61,;6.12,-10.78,;7.55,-10.18,;8.93,-10.82,;10.2,-9.96,;10.06,-8.42,;8.68,-7.78,;7.41,-8.64,;4.11,-4.5,;2.75,-5.2,;2.66,-6.73,;1.44,-4.36,;.05,-5.04,;-.13,-6.57,;-1.56,-6.75,;-2.83,-6.09,;-4.19,-7.22,;-2.64,-6.98,;-1.3,-7.72,;-2.45,-5.41,;-1.26,-4.31,;-2.66,-4.62,;6.8,-4.64,;6.87,-3.09,;8.09,-5.48,;9.47,-4.78,;10.76,-5.62,;12.14,-4.92,;13.43,-5.76,;14.81,-5.06,;14.91,-3.51,;13.6,-2.67,;12.21,-3.37,)| Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50422043
(CHEMBL2062144 | CI-988 | PD-137342)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:1.1,30.35,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.16,-4.53,;9.27,-6.4,;8.87,-4.92,;9.36,-3.46,;8.45,-2.22,;9.36,-.96,;10.83,-1.45,;12.16,-.66,;13.49,-1.43,;13.49,-2.99,;12.16,-3.76,;10.83,-2.99,;7.79,-6,;6.7,-7.08,;7.08,-8.57,;5.2,-6.68,;4.09,-7.77,;2.66,-7.33,;1.36,-7.98,;1.54,-9.46,;.49,-10.86,;1.94,-10.27,;1.75,-8.69,;3.41,-10.67,;4.27,-9.29,;2.92,-9.78,;10.76,-6.8,;11.85,-5.72,;11.15,-8.29,;12.74,-8.08,;14.23,-8.48,;14.61,-9.96,;14.21,-11.44,;12.72,-11.83,;15.28,-12.54,;14.87,-14.03,;15.95,-15.13,;17.44,-14.75,;15.54,-16.61,;14.22,-6.94,;12.88,-6.17,;12.87,-4.64,;14.2,-3.86,;15.54,-4.62,;15.55,-6.17,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230673
(CHEMBL3351015)Show SMILES [H][C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@H]1CC2CCC1(C)C2(C)C)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1 |THB:15:16:23:20.19| Show InChI InChI=1S/C34H40N4O6/c1-33(2)23-15-16-34(33,3)28(18-23)44-32(43)38-26(17-22-19-35-25-12-8-7-11-24(22)25)31(42)36-20-27(21-9-5-4-6-10-21)37-29(39)13-14-30(40)41/h4-14,19,23,26-28,35H,15-18,20H2,1-3H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41)/b14-13+/t23?,26-,27+,28+,34?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230670
(CHEMBL3350394)Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:15.16,wD:4.4,TLB:39:38:36:33.32.34,THB:39:33:30.38.37:36,34:35:30:33.32.39,34:33:30:35.37.36,29:30:36:33.32.34,(-1.66,-13.17,;-2.02,-11.68,;-3.5,-11.24,;-.91,-10.61,;.57,-11.05,;.93,-12.54,;2.41,-12.98,;3.53,-11.91,;5,-12.35,;5.37,-13.84,;4.25,-14.91,;2.78,-14.47,;1.69,-9.98,;1.32,-8.49,;-.16,-8.05,;2.44,-7.42,;3.97,-7.38,;4.78,-8.69,;4.2,-10.11,;5.37,-11.11,;6.68,-10.3,;8.16,-10.74,;9.27,-9.67,;8.91,-8.18,;7.43,-7.74,;6.32,-8.81,;2.07,-5.93,;3.19,-4.86,;4.66,-5.3,;2.82,-3.37,;3.94,-2.3,;5.31,-1.61,;5.31,-.21,;6.15,1.26,;7.52,.57,;7.52,-.83,;6.68,-2.3,;6.15,-1.53,;4.78,-.83,;4.78,.57,)| Show InChI InChI=1S/C32H37N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,28,30,33H,10-17H2,(H,34,38)(H,35,39)(H,36,37)/t20?,21?,22?,23?,25-,28+,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50027353
(CHEMBL216386 | Glu-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C53H78N14O13/c1-3-29(2)43(51(78)66-25-9-16-39(66)50(77)67-26-10-17-40(67)52(79)80)63-45(72)34(19-20-41(55)68)60-46(73)37-14-7-23-64(37)48(75)35(13-6-22-58-53(56)57)61-47(74)38-15-8-24-65(38)49(76)36(62-44(71)32(54)18-21-42(69)70)27-30-28-59-33-12-5-4-11-31(30)33/h4-5,11-12,28-29,32,34-40,43,59H,3,6-10,13-27,54H2,1-2H3,(H2,55,68)(H,60,73)(H,61,74)(H,62,71)(H,63,72)(H,69,70)(H,79,80)(H4,56,57,58)/t29-,32-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Angiotensin I converting enzyme |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230667
(CHEMBL3351016)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)O[C@H]1CC2CCC1(C)C2(C)C)C(=O)NCCc1ccccc1 |r,THB:15:16:23:20.19| Show InChI InChI=1S/C31H39N3O3/c1-29(2)23-14-16-30(29,3)26(18-23)37-28(36)34-31(4,19-22-20-33-25-13-9-8-12-24(22)25)27(35)32-17-15-21-10-6-5-7-11-21/h5-13,20,23,26,33H,14-19H2,1-4H3,(H,32,35)(H,34,36)/t23?,26-,30?,31?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230669
(CHEMBL3351012)Show SMILES C[C@@H]1CCCC[C@H]1OC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C28H35N3O3/c1-20-10-6-9-15-25(20)34-27(33)31-28(2,18-22-19-30-24-14-8-7-13-23(22)24)26(32)29-17-16-21-11-4-3-5-12-21/h3-5,7-8,11-14,19-20,25,30H,6,9-10,15-18H2,1-2H3,(H,29,32)(H,31,33)/t20-,25-,28?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230674
(CHEMBL3351014)Show SMILES [H][C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.1,29.38,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(3.03,-8.84,;2.44,-7.42,;3.98,-7.37,;4.78,-8.68,;4.2,-10.11,;5.37,-11.1,;6.68,-10.3,;8.16,-10.73,;9.28,-9.67,;8.91,-8.17,;7.43,-7.74,;6.32,-8.8,;2.07,-5.92,;3.19,-4.86,;4.66,-5.29,;2.82,-3.36,;3.94,-2.3,;5.31,-1.6,;5.31,-.2,;6.15,1.27,;7.52,.57,;7.52,-.82,;6.68,-2.3,;6.15,-1.52,;4.78,-.82,;4.78,.57,;1.32,-8.48,;-.16,-8.05,;1.69,-9.98,;.57,-11.04,;-.91,-10.61,;-2.02,-11.67,;-1.66,-13.17,;-3.5,-11.24,;.94,-12.54,;2.41,-12.97,;3.53,-11.91,;5,-12.34,;5.37,-13.84,;4.25,-14.9,;2.78,-14.46,)| Show InChI InChI=1S/C32H37N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,28,30,33H,10-17H2,(H,34,38)(H,35,39)(H,36,37)/t20?,21?,22?,23?,25-,28-,30?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50281660
(CHEMBL353654 | N-Cyclohexyl-N-methyl-2-[2-(2-pyrro...)Show SMILES CN(C1CCCCC1)C(=O)Cc1c(OCCN2CCCC2)ccc2ccccc12 Show InChI InChI=1S/C25H34N2O2/c1-26(21-10-3-2-4-11-21)25(28)19-23-22-12-6-5-9-20(22)13-14-24(23)29-18-17-27-15-7-8-16-27/h5-6,9,12-14,21H,2-4,7-8,10-11,15-19H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against Opioid receptor kappa 1 |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50281733
(CHEMBL171806 | N-{(S)-2-[(S)-2-(Adamantan-2-yloxyc...)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:1.13,29.33,wD:1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,15:16:21.23.22:19.18.25,20:21:16:19.18.25,20:19:16:21.23.22,(3.3,-9.92,;4.62,-10.71,;5.96,-9.95,;5.97,-8.41,;5.07,-7.17,;5.98,-5.93,;7.45,-6.4,;8.77,-5.63,;10.11,-6.4,;10.11,-7.94,;8.77,-8.71,;7.44,-7.94,;3.27,-11.46,;1.94,-10.69,;1.97,-9.15,;.61,-11.44,;-.93,-11.44,;-.74,-13,;-1.6,-14.43,;-3.12,-14.03,;-4.59,-14.66,;-3.54,-13.21,;-2.12,-13.53,;-3.73,-11.69,;-2.42,-11.04,;-3.33,-12.42,;5.95,-11.48,;5.93,-13.02,;7.28,-10.71,;8.61,-11.48,;8.61,-13.02,;7.28,-13.79,;7.26,-15.33,;5.93,-16.1,;8.61,-16.1,;8.59,-17.64,;9.94,-18.41,;9.92,-19.95,;11.27,-17.64,;9.95,-10.71,;11.28,-11.48,;11.28,-13.02,;12.61,-13.79,;13.94,-13.02,;13.94,-11.46,;12.61,-10.71,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23?,24?,25?,26?,28-,33?,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230675
(CHEMBL40352)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccccc1 |TLB:23:18:25:22.24.21,23:22:25:18.17.19,THB:21:20:17:22.24.23,21:22:17:20.25.19| Show InChI InChI=1S/C31H37N3O3/c1-30(19-25-20-33-27-10-6-5-9-26(25)27,28(35)32-12-11-21-7-3-2-4-8-21)34-29(36)37-31-16-22-13-23(17-31)15-24(14-22)18-31/h2-10,20,22-24,33H,11-19H2,1H3,(H,32,35)(H,34,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50073729
((R)-3-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.1,wD:29.33,1.0,TLB:25:24:22:19.18.20,15:16:19.18.25:21.22.23,THB:25:19:22:16.24.23,20:19:16:21.22.23,20:21:16:19.18.25,15:16:22:19.18.20,(11.34,-6.2,;12.13,-7.56,;10.6,-7.56,;9.84,-8.91,;10.31,-10.38,;9.07,-11.27,;7.83,-10.38,;6.34,-10.7,;5.31,-9.55,;5.77,-8.08,;7.29,-7.76,;8.31,-8.92,;13.69,-10.86,;15.23,-10.87,;16.01,-9.52,;16.01,-12.2,;17.86,-12.93,;17.78,-14.48,;19.32,-15.08,;20.87,-14.55,;21.77,-15.87,;20.15,-15.13,;18.69,-15.64,;20.18,-13.68,;19.37,-12.43,;20.96,-12.99,;12.89,-6.23,;12.13,-4.9,;14.44,-6.23,;15.2,-4.88,;16.74,-4.88,;17.5,-6.2,;19.02,-6.2,;16.74,-7.53,;14.42,-3.55,;15.18,-2.23,;14.38,-.91,;15.15,.42,;16.69,.43,;17.46,-.89,;16.7,-2.23,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230672
(CHEMBL3351020)Show SMILES [H][C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@H]1CC2CCC1(C)C2(C)C)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |THB:15:16:23:20.19| Show InChI InChI=1S/C34H42N4O6/c1-33(2)23-15-16-34(33,3)28(18-23)44-32(43)38-26(17-22-19-35-25-12-8-7-11-24(22)25)31(42)36-20-27(21-9-5-4-6-10-21)37-29(39)13-14-30(40)41/h4-12,19,23,26-28,35H,13-18,20H2,1-3H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41)/t23?,26-,27+,28+,34?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230686
(CHEMBL2021373)Show SMILES OC(=O)CCC(=O)NC(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |r,wU:13.13,TLB:37:36:34:31.30.32,THB:37:31:34:28.36.35,27:28:34:31.30.32,32:33:28:31.30.37,32:31:28:33.34.35,(2.59,9.48,;1.07,9.79,;.57,11.25,;.06,8.63,;-1.45,8.92,;-2.48,7.77,;-1.98,6.32,;-3.99,8.09,;-4.47,9.53,;-5.99,9.83,;-7.01,8.68,;-8.52,8.99,;-9.01,10.44,;-9.55,7.83,;-8.21,7.06,;-8.23,5.52,;-9.48,4.63,;-9.01,3.15,;-7.47,3.15,;-6.47,2.02,;-4.96,2.32,;-4.47,3.78,;-5.5,4.92,;-6.99,4.62,;-11.06,8.13,;-12.07,6.97,;-11.57,5.52,;-13.6,7.28,;-14.6,6.13,;-16.1,6.33,;-16.76,4.89,;-16.33,3.37,;-17.64,2.59,;-16.85,4.12,;-17.26,5.55,;-15.46,3.98,;-14.21,4.65,;-14.83,3.18,;-3.46,10.69,;-3.96,12.15,;-2.94,13.3,;-1.42,13,;-.94,11.54,;-1.95,10.38,)| Show InChI InChI=1S/C34H40N4O6/c39-30(10-11-31(40)41)37-29(22-6-2-1-3-7-22)19-36-33(42)28(17-25-18-35-27-9-5-4-8-26(25)27)38-34(43)44-32-23-13-20-12-21(15-23)16-24(32)14-20/h1-9,18,20-21,23-24,28-29,32,35H,10-17,19H2,(H,36,42)(H,37,39)(H,38,43)(H,40,41)/t20?,21?,23?,24?,28-,29?,32?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 355 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230679
(CHEMBL3350691)Show SMILES O.CC1(C)C2CCC1(C)[C@H](C2)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |TLB:11:9:2:6.5| Show InChI InChI=1S/C34H42N4O6/c1-33(2)23-15-16-34(33,3)28(18-23)44-32(43)38-26(17-22-19-35-25-12-8-7-11-24(22)25)31(42)36-20-27(21-9-5-4-6-10-21)37-29(39)13-14-30(40)41/h4-12,19,23,26-28,35H,13-18,20H2,1-3H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41)/t23?,26-,27-,28-,34?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230668
(CHEMBL3350393)Show SMILES [H][C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.1,wD:29.34,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:21:16:19.18.25,20:19:16:21.22.23,15:16:25:21.23.20,(4.93,-4.96,;5.31,-3.47,;6.66,-4.24,;6.65,-5.78,;5.38,-6.66,;5.86,-8.14,;7.4,-8.14,;8.42,-9.29,;9.93,-8.97,;10.41,-7.52,;9.38,-6.37,;7.88,-6.69,;3.82,-3.16,;2.81,-4.31,;3.29,-5.78,;1.28,-4.03,;.27,-5.18,;-1.22,-4.96,;-1.88,-6.4,;-1.47,-7.93,;-2.78,-8.7,;-1.98,-7.17,;-2.38,-5.76,;-.58,-7.32,;.67,-6.65,;.04,-8.11,;6.34,-2.31,;5.86,-.85,;7.85,-2.61,;8.88,-1.46,;8.38,,;9.41,1.16,;10.39,-1.77,;11.41,-.61,;10.9,.86,;11.93,2.01,;13.44,1.7,;13.94,.25,;12.92,-.91,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(15-19-6-2-1-3-7-19)33-30(36)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20?,21?,22?,23?,25-,28+,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 812 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230668
(CHEMBL3350393)Show SMILES [H][C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.1,wD:29.34,1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:21:16:19.18.25,20:19:16:21.22.23,15:16:25:21.23.20,(4.93,-4.96,;5.31,-3.47,;6.66,-4.24,;6.65,-5.78,;5.38,-6.66,;5.86,-8.14,;7.4,-8.14,;8.42,-9.29,;9.93,-8.97,;10.41,-7.52,;9.38,-6.37,;7.88,-6.69,;3.82,-3.16,;2.81,-4.31,;3.29,-5.78,;1.28,-4.03,;.27,-5.18,;-1.22,-4.96,;-1.88,-6.4,;-1.47,-7.93,;-2.78,-8.7,;-1.98,-7.17,;-2.38,-5.76,;-.58,-7.32,;.67,-6.65,;.04,-8.11,;6.34,-2.31,;5.86,-.85,;7.85,-2.61,;8.88,-1.46,;8.38,,;9.41,1.16,;10.39,-1.77,;11.41,-.61,;10.9,.86,;11.93,2.01,;13.44,1.7,;13.94,.25,;12.92,-.91,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(15-19-6-2-1-3-7-19)33-30(36)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20?,21?,22?,23?,25-,28+,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 813 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50281662
(2-Benzofuran-4-yl-N-(tetrahydro-pyrrolizin-7a-ylme...)Show InChI InChI=1S/C18H22N2O2/c21-17(12-14-4-1-5-16-15(14)6-11-22-16)19-13-18-7-2-9-20(18)10-3-8-18/h1,4-6,11H,2-3,7-10,12-13H2,(H,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against Opioid receptor kappa 1 |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50230685
(CHEMBL3350356)Show SMILES OC(=O)CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 |r,wD:13.13,8.42,TLB:37:36:34:31.30.32,THB:37:31:34:28.36.35,27:28:34:31.30.32,32:33:28:31.30.37,32:31:28:33.34.35,(-17.54,.75,;-17.9,2.25,;-19.38,2.68,;-16.79,3.31,;-15.31,2.88,;-14.2,3.94,;-14.56,5.44,;-12.72,3.51,;-11.61,4.57,;-10.13,4.14,;-9.01,5.2,;-7.54,4.77,;-7.17,3.27,;-6.42,5.83,;-6.3,7.37,;-7.58,8.24,;-9.03,7.72,;-9.97,8.94,;-9.1,10.21,;-9.46,11.71,;-8.35,12.77,;-6.87,12.34,;-6.51,10.84,;-7.62,9.78,;-4.94,5.4,;-3.83,6.46,;-4.19,7.96,;-2.35,6.03,;-1.24,7.09,;.14,7.79,;.14,9.18,;.97,10.66,;2.35,9.96,;2.35,8.57,;1.51,7.09,;.97,7.87,;-.4,8.57,;-.4,9.96,;-11.97,6.07,;-13.45,6.5,;-13.81,8,;-12.7,9.06,;-11.22,8.63,;-10.85,7.13,)| Show InChI InChI=1S/C34H40N4O6/c39-30(10-11-31(40)41)37-29(22-6-2-1-3-7-22)19-36-33(42)28(17-25-18-35-27-9-5-4-8-26(25)27)38-34(43)44-32-23-13-20-12-21(15-23)16-24(32)14-20/h1-9,18,20-21,23-24,28-29,32,35H,10-17,19H2,(H,36,42)(H,37,39)(H,38,43)(H,40,41)/t20?,21?,23?,24?,28-,29-,32?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 977 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse |
J Med Chem 35: 1572-7 (1992)
BindingDB Entry DOI: 10.7270/Q26H4KM8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50281662
(2-Benzofuran-4-yl-N-(tetrahydro-pyrrolizin-7a-ylme...)Show InChI InChI=1S/C18H22N2O2/c21-17(12-14-4-1-5-16-15(14)6-11-22-16)19-13-18-7-2-9-20(18)10-3-8-18/h1,4-6,11H,2-3,7-10,12-13H2,(H,19,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against mu opioid receptor |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50281661
(2-Oxa-7,10-diaza-bicyclo[11.3.1]heptadeca-1(17),13...)Show InChI InChI=1S/C14H20N2O2/c17-14-11-12-4-3-5-13(10-12)18-9-2-1-6-15-7-8-16-14/h3-5,10,15H,1-2,6-9,11H2,(H,16,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against Opioid receptor kappa 1 |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50281660
(CHEMBL353654 | N-Cyclohexyl-N-methyl-2-[2-(2-pyrro...)Show SMILES CN(C1CCCCC1)C(=O)Cc1c(OCCN2CCCC2)ccc2ccccc12 Show InChI InChI=1S/C25H34N2O2/c1-26(21-10-3-2-4-11-21)25(28)19-23-22-12-6-5-9-20(22)13-14-24(23)29-18-17-27-15-7-8-16-27/h5-6,9,12-14,21H,2-4,7-8,10-11,15-19H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against mu opioid receptor |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50281661
(2-Oxa-7,10-diaza-bicyclo[11.3.1]heptadeca-1(17),13...)Show InChI InChI=1S/C14H20N2O2/c17-14-11-12-4-3-5-13(10-12)18-9-2-1-6-15-7-8-16-14/h3-5,10,15H,1-2,6-9,11H2,(H,16,17) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against mu opioid receptor |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50020390
((2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbox...)Show InChI InChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against Angiotensin I converting enzyme |
Bioorg Med Chem Lett 3: 799-802 (1993)
Article DOI: 10.1016/S0960-894X(00)80669-1
BindingDB Entry DOI: 10.7270/Q29S1QZZ |
More data for this
Ligand-Target Pair | |
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