Found 288 hits with Last Name = 'kneen' and Initial = 'c' 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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50281737
((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)Cc1ccc(N)cc1 |wU:1.0,wD:1.13,29.33,TLB:22:17:25:21.23.20,22:21:16.17.18:25,15:16:21.23.22:19.18.25,THB:20:21:16:19.18.25,20:19:16:21.23.22,15:16:25:21.23.20,(3.41,-9.92,;4.74,-10.71,;6.07,-9.95,;6.09,-8.41,;5.19,-7.17,;6.1,-5.93,;7.57,-6.4,;8.89,-5.63,;10.23,-6.4,;10.23,-7.94,;8.89,-8.71,;7.56,-7.94,;3.39,-11.46,;2.06,-10.69,;2.08,-9.15,;.73,-11.44,;-.81,-11.44,;-.62,-13,;-2,-13.53,;-3.42,-13.21,;-4.47,-14.66,;-3,-14.03,;-1.49,-14.43,;-3.21,-12.42,;-2.3,-11.04,;-3.61,-11.69,;6.07,-11.48,;6.05,-13.02,;7.4,-10.71,;8.73,-11.48,;8.73,-13.02,;10.06,-13.79,;10.06,-15.33,;8.73,-14.54,;10.06,-10.71,;11.39,-11.48,;11.39,-13.02,;12.72,-13.79,;14.05,-13.02,;15.38,-13.79,;14.05,-11.46,;12.72,-10.71,)| Show InChI InChI=1S/C33H40N4O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17,34H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
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Similars
| Article
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in mouse cortex. |
Bioorg Med Chem Lett 3: 885-888 (1993)
Article DOI: 10.1016/S0960-894X(00)80686-1
BindingDB Entry DOI: 10.7270/Q2D79BWZ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50285623
((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)Cc1ccc(N)c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(8.02,-5.46,;9.37,-6.2,;10.7,-5.42,;10.68,-3.88,;11.96,-4.76,;13.17,-3.83,;12.66,-2.38,;13.41,-1.04,;12.62,.28,;11.08,.25,;10.33,-1.09,;11.13,-2.4,;9.4,-7.74,;8.09,-8.54,;8.12,-10.08,;6.74,-7.8,;5.46,-8.64,;5.45,-10.17,;4.05,-10.52,;2.72,-10.03,;1.53,-11.3,;3.03,-10.88,;4.43,-11.45,;3.02,-9.29,;4.06,-8.06,;2.72,-8.54,;10.47,-7.28,;12.01,-7.27,;10.51,-8.82,;11.86,-9.56,;11.89,-11.1,;10.57,-11.9,;10.61,-13.44,;9.22,-11.17,;13.17,-8.76,;14.52,-9.5,;14.55,-11.04,;15.9,-11.78,;17.22,-10.99,;18.57,-11.73,;17.18,-9.44,;18.5,-8.64,;15.83,-8.7,)| Show InChI InChI=1S/C33H39IN4O5/c1-33(16-23-17-36-28-5-3-2-4-25(23)28,38-32(42)43-30-21-9-19-8-20(11-21)12-22(30)10-19)31(41)37-24(15-29(39)40)13-18-6-7-27(35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16,35H2,1H3,(H,37,41)(H,38,42)(H,39,40)/t19?,20?,21?,22?,24-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined |
Bioorg Med Chem Lett 5: 2501-2506 (1995)
Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM |
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) | BDBM50285623
((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)Cc1ccc(N)c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(8.02,-5.46,;9.37,-6.2,;10.7,-5.42,;10.68,-3.88,;11.96,-4.76,;13.17,-3.83,;12.66,-2.38,;13.41,-1.04,;12.62,.28,;11.08,.25,;10.33,-1.09,;11.13,-2.4,;9.4,-7.74,;8.09,-8.54,;8.12,-10.08,;6.74,-7.8,;5.46,-8.64,;5.45,-10.17,;4.05,-10.52,;2.72,-10.03,;1.53,-11.3,;3.03,-10.88,;4.43,-11.45,;3.02,-9.29,;4.06,-8.06,;2.72,-8.54,;10.47,-7.28,;12.01,-7.27,;10.51,-8.82,;11.86,-9.56,;11.89,-11.1,;10.57,-11.9,;10.61,-13.44,;9.22,-11.17,;13.17,-8.76,;14.52,-9.5,;14.55,-11.04,;15.9,-11.78,;17.22,-10.99,;18.57,-11.73,;17.18,-9.44,;18.5,-8.64,;15.83,-8.7,)| Show InChI InChI=1S/C33H39IN4O5/c1-33(16-23-17-36-28-5-3-2-4-25(23)28,38-32(42)43-30-21-9-19-8-20(11-21)12-22(30)10-19)31(41)37-24(15-29(39)40)13-18-6-7-27(35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16,35H2,1H3,(H,37,41)(H,38,42)(H,39,40)/t19?,20?,21?,22?,24-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards CCK-B receptor in mouse cerebral cortex membrane using [125I]bolton assay |
Bioorg Med Chem Lett 5: 2501-2506 (1995)
Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM |
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
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antibodypedia
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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in guinea pig cortex. |
Bioorg Med Chem Lett 3: 885-888 (1993)
Article DOI: 10.1016/S0960-894X(00)80686-1
BindingDB Entry DOI: 10.7270/Q2D79BWZ |
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 | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50285625
((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)Cc1ccc(N=[N+]=[N-])c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(7.11,-5.46,;8.46,-6.2,;9.79,-5.42,;9.77,-3.88,;11.05,-4.76,;12.26,-3.83,;11.76,-2.38,;12.5,-1.04,;11.71,.28,;10.17,.25,;9.42,-1.09,;10.22,-2.4,;8.5,-7.74,;7.18,-8.54,;7.21,-10.08,;5.83,-7.8,;4.55,-8.64,;4.54,-10.17,;3.14,-10.52,;1.81,-10.03,;.62,-11.31,;2.12,-10.89,;3.52,-11.45,;2.11,-9.29,;3.15,-8.07,;1.81,-8.54,;9.57,-7.28,;11.1,-7.28,;9.6,-8.82,;10.95,-9.56,;10.98,-11.1,;9.67,-11.9,;9.7,-13.44,;8.31,-11.17,;12.27,-8.76,;13.62,-9.5,;13.64,-11.04,;14.99,-11.79,;16.31,-10.99,;17.66,-11.73,;18.98,-10.93,;20.3,-10.13,;16.28,-9.44,;17.59,-8.64,;14.93,-8.7,)| Show InChI InChI=1S/C33H37IN6O5/c1-33(16-23-17-36-27-5-3-2-4-25(23)27,38-32(44)45-30-21-9-19-8-20(11-21)12-22(30)10-19)31(43)37-24(15-29(41)42)13-18-6-7-28(39-40-35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,41,42)/t19?,20?,21?,22?,24-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards CCK-B receptor in mouse cerebral cortex membrane using [125I]bolton assay |
Bioorg Med Chem Lett 5: 2501-2506 (1995)
Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50449787
(CHEMBL2062154 | PD-134308)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)| 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
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| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in guinea pig cortex. |
Bioorg Med Chem Lett 3: 885-888 (1993)
Article DOI: 10.1016/S0960-894X(00)80686-1
BindingDB Entry DOI: 10.7270/Q2D79BWZ |
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
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| 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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| 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 | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM81962
(S-L-365,260)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
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MCE
KEGG
PC cid
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Patents
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| Article
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in guinea pig cortex. |
Bioorg Med Chem Lett 3: 885-888 (1993)
Article DOI: 10.1016/S0960-894X(00)80686-1
BindingDB Entry DOI: 10.7270/Q2D79BWZ |
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
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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
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| 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 | |
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
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| 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
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| 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) | 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
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| 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
(Homo sapiens (Human)) | BDBM50024321
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined |
Bioorg Med Chem Lett 5: 2501-2506 (1995)
Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM |
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
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| 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
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| 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
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| 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
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| 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
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| 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
(Homo sapiens (Human)) | BDBM50024321
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in guinea pig cortex. |
Bioorg Med Chem Lett 3: 885-888 (1993)
Article DOI: 10.1016/S0960-894X(00)80686-1
BindingDB Entry DOI: 10.7270/Q2D79BWZ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50289794
(CHEMBL292119 | [2-(1H-Indol-3-yl)-1-isobutylcarbam...)Show SMILES CC(C)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C39H39N5O3/c1-28(2)23-41-37(45)36(22-29-24-40-35-21-13-12-20-34(29)35)43-38(46)47-26-33-25-44(27-42-33)39(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-21,24-25,27-28,36,40H,22-23,26H2,1-2H3,(H,41,45)(H,43,46) | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 7: 1957-1962 (1997)
Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG |
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
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| 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
(Homo sapiens (Human)) | BDBM50024321
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]-PD 142251 to CCK-B receptor was determined |
Bioorg Med Chem Lett 5: 2501-2506 (1995)
Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(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
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| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in guinea pig cortex. |
Bioorg Med Chem Lett 3: 885-888 (1993)
Article DOI: 10.1016/S0960-894X(00)80686-1
BindingDB Entry DOI: 10.7270/Q2D79BWZ |
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
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| 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
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| 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
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| 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 | |
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
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| 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
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| 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
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| 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50285623
((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)Cc1ccc(N)c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(8.02,-5.46,;9.37,-6.2,;10.7,-5.42,;10.68,-3.88,;11.96,-4.76,;13.17,-3.83,;12.66,-2.38,;13.41,-1.04,;12.62,.28,;11.08,.25,;10.33,-1.09,;11.13,-2.4,;9.4,-7.74,;8.09,-8.54,;8.12,-10.08,;6.74,-7.8,;5.46,-8.64,;5.45,-10.17,;4.05,-10.52,;2.72,-10.03,;1.53,-11.3,;3.03,-10.88,;4.43,-11.45,;3.02,-9.29,;4.06,-8.06,;2.72,-8.54,;10.47,-7.28,;12.01,-7.27,;10.51,-8.82,;11.86,-9.56,;11.89,-11.1,;10.57,-11.9,;10.61,-13.44,;9.22,-11.17,;13.17,-8.76,;14.52,-9.5,;14.55,-11.04,;15.9,-11.78,;17.22,-10.99,;18.57,-11.73,;17.18,-9.44,;18.5,-8.64,;15.83,-8.7,)| Show InChI InChI=1S/C33H39IN4O5/c1-33(16-23-17-36-28-5-3-2-4-25(23)28,38-32(42)43-30-21-9-19-8-20(11-21)12-22(30)10-19)31(41)37-24(15-29(39)40)13-18-6-7-27(35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16,35H2,1H3,(H,37,41)(H,38,42)(H,39,40)/t19?,20?,21?,22?,24-,30?,33-/m1/s1 | PDB
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| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards CCK-A receptor in rat pancreas membrane using Hunter labelled CCK-8S assay |
Bioorg Med Chem Lett 5: 2501-2506 (1995)
Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM |
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
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| 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
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| 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
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| 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50281737
((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)Cc1ccc(N)cc1 |wU:1.0,wD:1.13,29.33,TLB:22:17:25:21.23.20,22:21:16.17.18:25,15:16:21.23.22:19.18.25,THB:20:21:16:19.18.25,20:19:16:21.23.22,15:16:25:21.23.20,(3.41,-9.92,;4.74,-10.71,;6.07,-9.95,;6.09,-8.41,;5.19,-7.17,;6.1,-5.93,;7.57,-6.4,;8.89,-5.63,;10.23,-6.4,;10.23,-7.94,;8.89,-8.71,;7.56,-7.94,;3.39,-11.46,;2.06,-10.69,;2.08,-9.15,;.73,-11.44,;-.81,-11.44,;-.62,-13,;-2,-13.53,;-3.42,-13.21,;-4.47,-14.66,;-3,-14.03,;-1.49,-14.43,;-3.21,-12.42,;-2.3,-11.04,;-3.61,-11.69,;6.07,-11.48,;6.05,-13.02,;7.4,-10.71,;8.73,-11.48,;8.73,-13.02,;10.06,-13.79,;10.06,-15.33,;8.73,-14.54,;10.06,-10.71,;11.39,-11.48,;11.39,-13.02,;12.72,-13.79,;14.05,-13.02,;15.38,-13.79,;14.05,-11.46,;12.72,-10.71,)| Show InChI InChI=1S/C33H40N4O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17,34H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was evaluated for the inhibition of binding of [125I]Bolton-Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas. |
Bioorg Med Chem Lett 3: 885-888 (1993)
Article DOI: 10.1016/S0960-894X(00)80686-1
BindingDB Entry DOI: 10.7270/Q2D79BWZ |
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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50285625
((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)Cc1ccc(N=[N+]=[N-])c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(7.11,-5.46,;8.46,-6.2,;9.79,-5.42,;9.77,-3.88,;11.05,-4.76,;12.26,-3.83,;11.76,-2.38,;12.5,-1.04,;11.71,.28,;10.17,.25,;9.42,-1.09,;10.22,-2.4,;8.5,-7.74,;7.18,-8.54,;7.21,-10.08,;5.83,-7.8,;4.55,-8.64,;4.54,-10.17,;3.14,-10.52,;1.81,-10.03,;.62,-11.31,;2.12,-10.89,;3.52,-11.45,;2.11,-9.29,;3.15,-8.07,;1.81,-8.54,;9.57,-7.28,;11.1,-7.28,;9.6,-8.82,;10.95,-9.56,;10.98,-11.1,;9.67,-11.9,;9.7,-13.44,;8.31,-11.17,;12.27,-8.76,;13.62,-9.5,;13.64,-11.04,;14.99,-11.79,;16.31,-10.99,;17.66,-11.73,;18.98,-10.93,;20.3,-10.13,;16.28,-9.44,;17.59,-8.64,;14.93,-8.7,)| Show InChI InChI=1S/C33H37IN6O5/c1-33(16-23-17-36-27-5-3-2-4-25(23)27,38-32(44)45-30-21-9-19-8-20(11-21)12-22(30)10-19)31(43)37-24(15-29(41)42)13-18-6-7-28(39-40-35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,41,42)/t19?,20?,21?,22?,24-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 392 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards CCK-A receptor in rat pancreas membrane using Hunter labelled CCK-8S assay |
Bioorg Med Chem Lett 5: 2501-2506 (1995)
Article DOI: 10.1016/0960-894X(95)00435-V
BindingDB Entry DOI: 10.7270/Q2DZ08SM |
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 | |
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