Found 36 hits with Last Name = 'sogabe' and Initial = 'h' 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
(GUINEA PIG) | BDBM50084033
(1H-Indole-2-carboxylic acid [(R)-1-(2-fluoro-pheny...)Show SMILES Fc1ccccc1C1=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m0/s1 | PDB
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 268: 571-5 (1994)
BindingDB Entry DOI: 10.7270/Q2WQ029S |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(GUINEA PIG) | 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
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 268: 571-5 (1994)
BindingDB Entry DOI: 10.7270/Q2WQ029S |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50084033
(1H-Indole-2-carboxylic acid [(R)-1-(2-fluoro-pheny...)Show SMILES Fc1ccccc1C1=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m0/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 268: 571-5 (1994)
BindingDB Entry DOI: 10.7270/Q2WQ029S |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(GUINEA PIG) | 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
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| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 268: 571-5 (1994)
BindingDB Entry DOI: 10.7270/Q2WQ029S |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(GUINEA PIG) | BDBM50185261
(4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pen...)Show SMILES CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27) | PDB
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| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 268: 571-5 (1994)
BindingDB Entry DOI: 10.7270/Q2WQ029S |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(GUINEA PIG) | BDBM50084033
(1H-Indole-2-carboxylic acid [(R)-1-(2-fluoro-pheny...)Show SMILES Fc1ccccc1C1=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m0/s1 | PDB
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 268: 571-5 (1994)
BindingDB Entry DOI: 10.7270/Q2WQ029S |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50185261
(4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pen...)Show SMILES CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27) | PDB
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 268: 571-5 (1994)
BindingDB Entry DOI: 10.7270/Q2WQ029S |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(GUINEA PIG) | BDBM50185261
(4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pen...)Show SMILES CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 268: 571-5 (1994)
BindingDB Entry DOI: 10.7270/Q2WQ029S |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | 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
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| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50290398
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:11,(11,-6.73,;10.23,-8.06,;11,-9.39,;10.23,-10.71,;8.7,-10.71,;7.96,-9.39,;6.61,-8.62,;5.28,-9.39,;5.3,-10.93,;3.94,-8.64,;2.6,-9.42,;1.92,-10.82,;.44,-11.15,;.1,-12.65,;-1.37,-13.13,;-1.73,-14.65,;-.58,-15.7,;.89,-15.22,;1.24,-13.72,;2.71,-13.24,;-.77,-10.2,;-2.12,-11,;-3.47,-10.23,;-3.47,-8.66,;-2.12,-7.89,;-.77,-8.66,;.36,-7.63,;-.28,-6.21,;.61,-4.95,;2.15,-5.11,;,-3.55,;.99,-2.36,;.68,-.85,;-.7,-.15,;-2.09,-.79,;-2.47,-2.29,;-1,-2.67,;-.77,-1.17,;-1.54,-3.51,;1.92,-8.03,;2.88,-6.82,;8.7,-8.06,)| Show InChI InChI=1S/C33H34FN5O3/c1-21-7-6-8-24(17-21)35-33(42)37-31-32(41)39(20-29(40)38-18-22-13-14-23(19-38)16-15-22)28-12-5-3-10-26(28)30(36-31)25-9-2-4-11-27(25)34/h2-12,17,22-23,31H,13-16,18-20H2,1H3,(H2,35,37,42) | PDB
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| n/a | n/a | 0.0870 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50290397
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES CSc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:12,(8.7,-.09,;7.17,-.12,;6.41,-1.43,;7.17,-2.77,;6.41,-4.09,;4.89,-4.09,;4.13,-2.78,;2.59,-2.78,;1.28,-3.54,;1.29,-5.08,;-.06,-2.8,;-1.4,-3.58,;-2.07,-4.98,;-3.55,-5.3,;-3.9,-6.8,;-5.37,-7.29,;-5.72,-8.79,;-4.58,-9.84,;-3.09,-9.36,;-2.76,-7.86,;-1.3,-7.38,;-4.77,-4.36,;-6.11,-5.15,;-7.45,-4.38,;-7.45,-2.82,;-6.11,-2.05,;-6.13,-.5,;-4.77,-2.82,;-3.65,-1.79,;-4.28,-.37,;-3.39,.88,;-1.85,.72,;-4.03,2.27,;-3.02,3.46,;-3.32,4.97,;-4.69,5.67,;-6.09,5.04,;-6.46,3.54,;-4.98,3.14,;-4.77,4.65,;-5.54,2.32,;-2.07,-2.19,;-1.13,-.99,;4.87,-1.45,)| Show InChI InChI=1S/C34H36FN5O3S/c1-21-7-5-11-27-30(26-10-3-4-12-28(26)35)37-32(38-34(43)36-24-8-6-9-25(17-24)44-2)33(42)40(31(21)27)20-29(41)39-18-22-13-14-23(19-39)16-15-22/h3-12,17,22-23,32H,13-16,18-20H2,1-2H3,(H2,36,38,43) | PDB
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| Article
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50290396
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:11,(9.11,-4.37,;8.34,-5.7,;9.11,-7.02,;8.37,-8.34,;6.84,-8.37,;6.07,-7.02,;4.53,-7.02,;3.22,-7.79,;3.22,-9.35,;1.87,-7.06,;.52,-7.82,;-.13,-9.24,;-1.62,-9.58,;-1.97,-11.08,;-3.45,-11.55,;-3.79,-13.05,;-2.65,-14.11,;-1.18,-13.62,;-.83,-12.13,;.64,-11.66,;-2.84,-8.63,;-4.19,-9.4,;-5.54,-8.63,;-5.54,-7.09,;-4.19,-6.29,;-4.2,-4.75,;-2.84,-7.06,;-1.72,-6.04,;-2.35,-4.62,;-1.45,-3.36,;.08,-3.53,;-2.07,-1.97,;-1.09,-.8,;-1.4,.71,;-2.84,.39,;-3.05,-1.1,;-4.54,-.71,;-4.16,.77,;-2.77,1.41,;-3.61,-1.93,;-.16,-6.44,;.82,-5.23,;6.83,-5.72,)| Show InChI InChI=1S/C34H36FN5O3/c1-21-7-5-9-25(17-21)36-34(43)38-32-33(42)40(20-29(41)39-18-23-13-14-24(19-39)16-15-23)31-22(2)8-6-11-27(31)30(37-32)26-10-3-4-12-28(26)35/h3-12,17,23-24,32H,13-16,18-20H2,1-2H3,(H2,36,38,43) | PDB
Reactome pathway
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| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50290400
(1H-Indole-2-carboxylic acid [(S)-1-(2-fluoro-pheny...)Show SMILES Fc1ccccc1C1=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1 | PDB
Reactome pathway
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UniChem
Patents
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| Article
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50290401
(1-(3-Acetyl-phenyl)-3-[1-[2-(3-aza-bicyclo[3.2.2]n...)Show SMILES CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:13,(12.91,-6.84,;11.37,-6.87,;10.58,-5.54,;10.6,-8.2,;11.37,-9.53,;10.6,-10.86,;9.08,-10.86,;8.33,-9.54,;6.79,-9.54,;5.47,-10.31,;5.47,-11.85,;4.11,-9.57,;2.78,-10.34,;2.11,-11.74,;.61,-12.07,;.28,-13.59,;-1.21,-14.07,;-1.56,-15.57,;-.4,-16.62,;1.08,-16.14,;1.42,-14.64,;2.88,-14.16,;-.6,-11.14,;-1.95,-11.92,;-3.28,-11.15,;-3.28,-9.6,;-1.95,-8.8,;-1.98,-7.26,;-.6,-9.57,;.54,-8.55,;-.11,-7.12,;.79,-5.89,;2.33,-6.03,;.15,-4.48,;-1.37,-4.44,;-2.29,-3.2,;-1.91,-1.71,;-.53,-1.07,;.85,-1.78,;-.6,-2.1,;-.81,-3.6,;1.17,-3.29,;2.11,-8.96,;3.06,-7.75,;9.06,-8.22,)| Show InChI InChI=1S/C35H36FN5O4/c1-21-7-5-11-28-31(27-10-3-4-12-29(27)36)38-33(39-35(45)37-26-9-6-8-25(17-26)22(2)42)34(44)41(32(21)28)20-30(43)40-18-23-13-14-24(19-40)16-15-23/h3-12,17,23-24,33H,13-16,18-20H2,1-2H3,(H2,37,39,45) | PDB
Reactome pathway
KEGG
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antibodypedia
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PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50290399
(3-{3-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-et...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)C(O)=O)N=C2c1ccccc1F |c:40,(-1.23,-7.79,;-1.21,-9.34,;-2.54,-10.13,;-2.54,-11.67,;-1.21,-12.44,;.15,-11.67,;.15,-10.11,;1.28,-9.08,;.64,-7.66,;1.54,-6.42,;3.08,-6.56,;.89,-5,;-.62,-4.97,;-1.54,-3.74,;-.07,-4.14,;.15,-2.62,;1.59,-2.31,;.22,-1.59,;-1.17,-2.25,;1.91,-3.81,;2.85,-9.48,;3.8,-8.27,;3.52,-10.88,;4.86,-10.09,;6.21,-10.83,;6.21,-12.37,;7.54,-10.06,;9.08,-10.06,;9.83,-11.39,;11.35,-11.39,;12.12,-10.06,;11.35,-8.73,;9.81,-8.75,;12.12,-7.4,;13.66,-7.38,;11.32,-6.07,;2.85,-12.28,;1.36,-12.61,;1.03,-14.11,;-.46,-14.59,;-.81,-16.11,;.35,-17.16,;1.83,-16.67,;2.17,-15.17,;3.62,-14.68,)| Show InChI InChI=1S/C34H34FN5O5/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-34(45)36-24-8-5-7-23(16-24)33(43)44)32(42)40(30(20)26)19-28(41)39-17-21-12-13-22(18-39)15-14-21/h2-11,16,21-22,31H,12-15,17-19H2,1H3,(H,43,44)(H2,36,38,45) | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50290402
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES COc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:12,(17.75,-5.91,;16.21,-5.93,;15.45,-7.26,;16.22,-8.59,;15.45,-9.92,;13.93,-9.92,;13.16,-8.61,;11.62,-8.61,;10.31,-9.38,;10.32,-10.92,;8.96,-8.63,;7.63,-9.41,;6.95,-10.81,;5.47,-11.13,;5.12,-12.65,;3.65,-13.13,;3.3,-14.63,;4.44,-15.68,;5.92,-15.21,;6.26,-13.7,;7.72,-13.22,;4.24,-10.2,;2.9,-10.99,;1.56,-10.22,;1.56,-8.66,;2.9,-7.87,;2.88,-6.33,;4.24,-8.64,;5.37,-7.61,;4.73,-6.19,;5.63,-4.95,;7.17,-5.09,;4.99,-3.55,;6,-2.36,;5.7,-.85,;4.24,-1.17,;4.04,-2.67,;2.55,-2.27,;2.92,-.78,;4.32,-.14,;3.48,-3.51,;6.95,-8.02,;7.89,-6.81,;13.91,-7.29,)| Show InChI InChI=1S/C34H36FN5O4/c1-21-7-5-11-27-30(26-10-3-4-12-28(26)35)37-32(38-34(43)36-24-8-6-9-25(17-24)44-2)33(42)40(31(21)27)20-29(41)39-18-22-13-14-23(19-39)16-15-22/h3-12,17,22-23,32H,13-16,18-20H2,1-2H3,(H2,36,38,43) | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50290395
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Br)c1)N=C2c1ccccc1F |c:38,(1.92,-5.86,;1.94,-7.42,;.61,-8.19,;.61,-9.76,;1.94,-10.53,;3.3,-9.73,;3.3,-8.17,;4.42,-7.16,;3.79,-5.74,;4.67,-4.49,;6.21,-4.64,;4.04,-3.09,;5.06,-1.9,;4.74,-.38,;3.37,.32,;1.98,-.33,;1.59,-1.82,;3.08,-2.22,;3.3,-.71,;2.53,-3.04,;6,-7.56,;6.95,-6.35,;6.67,-8.96,;8.01,-8.17,;9.35,-8.92,;9.36,-10.46,;10.68,-8.15,;12.22,-8.15,;12.97,-9.47,;14.49,-9.47,;15.26,-8.14,;14.49,-6.79,;15.25,-5.48,;12.95,-6.82,;6,-10.35,;4.51,-10.68,;4.16,-12.18,;2.69,-12.67,;2.34,-14.18,;3.5,-15.23,;4.98,-14.75,;5.32,-13.25,;6.77,-12.76,)| Show InChI InChI=1S/C33H33BrFN5O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-33(43)36-24-8-5-7-23(34)16-24)32(42)40(30(20)26)19-28(41)39-17-21-12-13-22(18-39)15-14-21/h2-11,16,21-22,31H,12-15,17-19H2,1H3,(H2,36,38,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50290394
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F |c:38,(-2.3,-7.31,;-2.28,-8.86,;-3.61,-9.64,;-3.61,-11.2,;-2.28,-11.97,;-.93,-11.18,;-.93,-9.63,;.21,-8.61,;-.44,-7.18,;.47,-5.93,;2.01,-6.09,;-.18,-4.53,;.84,-3.34,;.52,-1.83,;-.86,-1.13,;-2.24,-1.77,;-2.61,-3.26,;-1.14,-3.66,;-.93,-2.15,;-1.69,-4.49,;1.78,-9.01,;2.73,-7.8,;2.46,-10.4,;3.79,-9.62,;5.14,-10.36,;5.14,-11.9,;6.46,-9.59,;8,-9.59,;8.75,-10.91,;10.27,-10.91,;11.04,-9.59,;10.27,-8.24,;11.04,-6.93,;8.73,-8.26,;1.78,-11.8,;.29,-12.13,;-.05,-13.63,;-1.53,-14.12,;-1.88,-15.63,;-.72,-16.68,;.75,-16.19,;1.1,-14.69,;2.55,-14.21,)| Show InChI InChI=1S/C33H33ClFN5O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-33(43)36-24-8-5-7-23(34)16-24)32(42)40(30(20)26)19-28(41)39-17-21-12-13-22(18-39)15-14-21/h2-11,16,21-22,31H,12-15,17-19H2,1H3,(H2,36,38,43) | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50006878
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50290395
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Br)c1)N=C2c1ccccc1F |c:38,(1.92,-5.86,;1.94,-7.42,;.61,-8.19,;.61,-9.76,;1.94,-10.53,;3.3,-9.73,;3.3,-8.17,;4.42,-7.16,;3.79,-5.74,;4.67,-4.49,;6.21,-4.64,;4.04,-3.09,;5.06,-1.9,;4.74,-.38,;3.37,.32,;1.98,-.33,;1.59,-1.82,;3.08,-2.22,;3.3,-.71,;2.53,-3.04,;6,-7.56,;6.95,-6.35,;6.67,-8.96,;8.01,-8.17,;9.35,-8.92,;9.36,-10.46,;10.68,-8.15,;12.22,-8.15,;12.97,-9.47,;14.49,-9.47,;15.26,-8.14,;14.49,-6.79,;15.25,-5.48,;12.95,-6.82,;6,-10.35,;4.51,-10.68,;4.16,-12.18,;2.69,-12.67,;2.34,-14.18,;3.5,-15.23,;4.98,-14.75,;5.32,-13.25,;6.77,-12.76,)| Show InChI InChI=1S/C33H33BrFN5O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-33(43)36-24-8-5-7-23(34)16-24)32(42)40(30(20)26)19-28(41)39-17-21-12-13-22(18-39)15-14-21/h2-11,16,21-22,31H,12-15,17-19H2,1H3,(H2,36,38,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50290402
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES COc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:12,(17.75,-5.91,;16.21,-5.93,;15.45,-7.26,;16.22,-8.59,;15.45,-9.92,;13.93,-9.92,;13.16,-8.61,;11.62,-8.61,;10.31,-9.38,;10.32,-10.92,;8.96,-8.63,;7.63,-9.41,;6.95,-10.81,;5.47,-11.13,;5.12,-12.65,;3.65,-13.13,;3.3,-14.63,;4.44,-15.68,;5.92,-15.21,;6.26,-13.7,;7.72,-13.22,;4.24,-10.2,;2.9,-10.99,;1.56,-10.22,;1.56,-8.66,;2.9,-7.87,;2.88,-6.33,;4.24,-8.64,;5.37,-7.61,;4.73,-6.19,;5.63,-4.95,;7.17,-5.09,;4.99,-3.55,;6,-2.36,;5.7,-.85,;4.24,-1.17,;4.04,-2.67,;2.55,-2.27,;2.92,-.78,;4.32,-.14,;3.48,-3.51,;6.95,-8.02,;7.89,-6.81,;13.91,-7.29,)| Show InChI InChI=1S/C34H36FN5O4/c1-21-7-5-11-27-30(26-10-3-4-12-28(26)35)37-32(38-34(43)36-24-8-6-9-25(17-24)44-2)33(42)40(31(21)27)20-29(41)39-18-22-13-14-23(19-39)16-15-22/h3-12,17,22-23,32H,13-16,18-20H2,1-2H3,(H2,36,38,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50290394
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(Cl)c1)N=C2c1ccccc1F |c:38,(-2.3,-7.31,;-2.28,-8.86,;-3.61,-9.64,;-3.61,-11.2,;-2.28,-11.97,;-.93,-11.18,;-.93,-9.63,;.21,-8.61,;-.44,-7.18,;.47,-5.93,;2.01,-6.09,;-.18,-4.53,;.84,-3.34,;.52,-1.83,;-.86,-1.13,;-2.24,-1.77,;-2.61,-3.26,;-1.14,-3.66,;-.93,-2.15,;-1.69,-4.49,;1.78,-9.01,;2.73,-7.8,;2.46,-10.4,;3.79,-9.62,;5.14,-10.36,;5.14,-11.9,;6.46,-9.59,;8,-9.59,;8.75,-10.91,;10.27,-10.91,;11.04,-9.59,;10.27,-8.24,;11.04,-6.93,;8.73,-8.26,;1.78,-11.8,;.29,-12.13,;-.05,-13.63,;-1.53,-14.12,;-1.88,-15.63,;-.72,-16.68,;.75,-16.19,;1.1,-14.69,;2.55,-14.21,)| Show InChI InChI=1S/C33H33ClFN5O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-33(43)36-24-8-5-7-23(34)16-24)32(42)40(30(20)26)19-28(41)39-17-21-12-13-22(18-39)15-14-21/h2-11,16,21-22,31H,12-15,17-19H2,1H3,(H2,36,38,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50290401
(1-(3-Acetyl-phenyl)-3-[1-[2-(3-aza-bicyclo[3.2.2]n...)Show SMILES CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:13,(12.91,-6.84,;11.37,-6.87,;10.58,-5.54,;10.6,-8.2,;11.37,-9.53,;10.6,-10.86,;9.08,-10.86,;8.33,-9.54,;6.79,-9.54,;5.47,-10.31,;5.47,-11.85,;4.11,-9.57,;2.78,-10.34,;2.11,-11.74,;.61,-12.07,;.28,-13.59,;-1.21,-14.07,;-1.56,-15.57,;-.4,-16.62,;1.08,-16.14,;1.42,-14.64,;2.88,-14.16,;-.6,-11.14,;-1.95,-11.92,;-3.28,-11.15,;-3.28,-9.6,;-1.95,-8.8,;-1.98,-7.26,;-.6,-9.57,;.54,-8.55,;-.11,-7.12,;.79,-5.89,;2.33,-6.03,;.15,-4.48,;-1.37,-4.44,;-2.29,-3.2,;-1.91,-1.71,;-.53,-1.07,;.85,-1.78,;-.6,-2.1,;-.81,-3.6,;1.17,-3.29,;2.11,-8.96,;3.06,-7.75,;9.06,-8.22,)| Show InChI InChI=1S/C35H36FN5O4/c1-21-7-5-11-28-31(27-10-3-4-12-29(27)36)38-33(39-35(45)37-26-9-6-8-25(17-26)22(2)42)34(44)41(32(21)28)20-30(43)40-18-23-13-14-24(19-40)16-15-23/h3-12,17,23-24,33H,13-16,18-20H2,1-2H3,(H2,37,39,45) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50290396
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:11,(9.11,-4.37,;8.34,-5.7,;9.11,-7.02,;8.37,-8.34,;6.84,-8.37,;6.07,-7.02,;4.53,-7.02,;3.22,-7.79,;3.22,-9.35,;1.87,-7.06,;.52,-7.82,;-.13,-9.24,;-1.62,-9.58,;-1.97,-11.08,;-3.45,-11.55,;-3.79,-13.05,;-2.65,-14.11,;-1.18,-13.62,;-.83,-12.13,;.64,-11.66,;-2.84,-8.63,;-4.19,-9.4,;-5.54,-8.63,;-5.54,-7.09,;-4.19,-6.29,;-4.2,-4.75,;-2.84,-7.06,;-1.72,-6.04,;-2.35,-4.62,;-1.45,-3.36,;.08,-3.53,;-2.07,-1.97,;-1.09,-.8,;-1.4,.71,;-2.84,.39,;-3.05,-1.1,;-4.54,-.71,;-4.16,.77,;-2.77,1.41,;-3.61,-1.93,;-.16,-6.44,;.82,-5.23,;6.83,-5.72,)| Show InChI InChI=1S/C34H36FN5O3/c1-21-7-5-9-25(17-21)36-34(43)38-32-33(42)40(20-29(41)39-18-23-13-14-24(19-39)16-15-23)31-22(2)8-6-11-27(31)30(37-32)26-10-3-4-12-28(26)35/h3-12,17,23-24,32H,13-16,18-20H2,1-2H3,(H2,36,38,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50290397
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES CSc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:12,(8.7,-.09,;7.17,-.12,;6.41,-1.43,;7.17,-2.77,;6.41,-4.09,;4.89,-4.09,;4.13,-2.78,;2.59,-2.78,;1.28,-3.54,;1.29,-5.08,;-.06,-2.8,;-1.4,-3.58,;-2.07,-4.98,;-3.55,-5.3,;-3.9,-6.8,;-5.37,-7.29,;-5.72,-8.79,;-4.58,-9.84,;-3.09,-9.36,;-2.76,-7.86,;-1.3,-7.38,;-4.77,-4.36,;-6.11,-5.15,;-7.45,-4.38,;-7.45,-2.82,;-6.11,-2.05,;-6.13,-.5,;-4.77,-2.82,;-3.65,-1.79,;-4.28,-.37,;-3.39,.88,;-1.85,.72,;-4.03,2.27,;-3.02,3.46,;-3.32,4.97,;-4.69,5.67,;-6.09,5.04,;-6.46,3.54,;-4.98,3.14,;-4.77,4.65,;-5.54,2.32,;-2.07,-2.19,;-1.13,-.99,;4.87,-1.45,)| Show InChI InChI=1S/C34H36FN5O3S/c1-21-7-5-11-27-30(26-10-3-4-12-28(26)35)37-32(38-34(43)36-24-8-6-9-25(17-24)44-2)33(42)40(31(21)27)20-29(41)39-18-22-13-14-23(19-39)16-15-22/h3-12,17,22-23,32H,13-16,18-20H2,1-2H3,(H2,36,38,43) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50290398
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 |t:11,(11,-6.73,;10.23,-8.06,;11,-9.39,;10.23,-10.71,;8.7,-10.71,;7.96,-9.39,;6.61,-8.62,;5.28,-9.39,;5.3,-10.93,;3.94,-8.64,;2.6,-9.42,;1.92,-10.82,;.44,-11.15,;.1,-12.65,;-1.37,-13.13,;-1.73,-14.65,;-.58,-15.7,;.89,-15.22,;1.24,-13.72,;2.71,-13.24,;-.77,-10.2,;-2.12,-11,;-3.47,-10.23,;-3.47,-8.66,;-2.12,-7.89,;-.77,-8.66,;.36,-7.63,;-.28,-6.21,;.61,-4.95,;2.15,-5.11,;,-3.55,;.99,-2.36,;.68,-.85,;-.7,-.15,;-2.09,-.79,;-2.47,-2.29,;-1,-2.67,;-.77,-1.17,;-1.54,-3.51,;1.92,-8.03,;2.88,-6.82,;8.7,-8.06,)| Show InChI InChI=1S/C33H34FN5O3/c1-21-7-6-8-24(17-21)35-33(42)37-31-32(41)39(20-29(40)38-18-22-13-14-23(19-38)16-15-22)28-12-5-3-10-26(28)30(36-31)25-9-2-4-11-27(25)34/h2-12,17,22-23,31H,13-16,18-20H2,1H3,(H2,35,37,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50290399
(3-{3-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-et...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)C(O)=O)N=C2c1ccccc1F |c:40,(-1.23,-7.79,;-1.21,-9.34,;-2.54,-10.13,;-2.54,-11.67,;-1.21,-12.44,;.15,-11.67,;.15,-10.11,;1.28,-9.08,;.64,-7.66,;1.54,-6.42,;3.08,-6.56,;.89,-5,;-.62,-4.97,;-1.54,-3.74,;-.07,-4.14,;.15,-2.62,;1.59,-2.31,;.22,-1.59,;-1.17,-2.25,;1.91,-3.81,;2.85,-9.48,;3.8,-8.27,;3.52,-10.88,;4.86,-10.09,;6.21,-10.83,;6.21,-12.37,;7.54,-10.06,;9.08,-10.06,;9.83,-11.39,;11.35,-11.39,;12.12,-10.06,;11.35,-8.73,;9.81,-8.75,;12.12,-7.4,;13.66,-7.38,;11.32,-6.07,;2.85,-12.28,;1.36,-12.61,;1.03,-14.11,;-.46,-14.59,;-.81,-16.11,;.35,-17.16,;1.83,-16.67,;2.17,-15.17,;3.62,-14.68,)| Show InChI InChI=1S/C34H34FN5O5/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-31(38-34(45)36-24-8-5-7-23(16-24)33(43)44)32(42)40(30(20)26)19-28(41)39-17-21-12-13-22(18-39)15-14-21/h2-11,16,21-22,31H,12-15,17-19H2,1H3,(H,43,44)(H2,36,38,45) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
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
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| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50006878
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50290400
(1H-Indole-2-carboxylic acid [(S)-1-(2-fluoro-pheny...)Show SMILES Fc1ccccc1C1=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1 | PDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type A receptor of rat pancreatic membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50070466
(1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl...)Show SMILES Cc1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)C(NC(=O)Nc1cccc(c1)-c1nnn[nH]1)N=C2c1ccccc1F |c:43,(-2.49,1.03,;-2.49,-.51,;-3.82,-1.28,;-3.82,-2.83,;-2.49,-3.6,;-1.14,-2.83,;-1.14,-1.28,;-.16,-.35,;-.6,1.14,;.47,2.24,;.03,3.73,;1.96,1.88,;1.64,3.17,;2.62,4.31,;4.21,4.17,;5.05,2.86,;4.53,1.46,;4.09,3.17,;2.61,2.77,;3.29,1.11,;1.33,-.64,;2.27,.58,;2.01,-2.1,;3.34,-2.87,;4.67,-2.1,;4.67,-.56,;6,-2.87,;7.33,-2.11,;8.66,-2.88,;9.99,-2.12,;9.99,-.58,;8.66,.2,;7.33,-.57,;8.66,1.74,;7.4,2.63,;7.87,4.1,;9.41,4.1,;9.9,2.64,;1.28,-3.51,;-.23,-3.76,;-.69,-5.21,;-2.21,-5.54,;-2.68,-7.01,;-1.63,-8.15,;-.13,-7.82,;.33,-6.35,;1.83,-5.95,)| Show InChI InChI=1S/C34H34FN9O3/c1-20-6-4-10-26-29(25-9-2-3-11-27(25)35)37-32(38-34(47)36-24-8-5-7-23(16-24)31-39-41-42-40-31)33(46)44(30(20)26)19-28(45)43-17-21-12-13-22(18-43)15-14-21/h2-11,16,21-22,32H,12-15,17-19H2,1H3,(H2,36,38,47)(H,39,40,41,42) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes |
Bioorg Med Chem Lett 7: 169-174 (1997)
Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF |
More data for this
Ligand-Target Pair | |
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