Found 39 hits of Enzyme Inhibition Constant Data 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 |
|---|
Cholecystokinin
(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 | Reactome pathway
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(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 | Reactome pathway
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82387
(CCK antagonist synthetic 22)Show SMILES CN1c2ccc(F)cc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C25H19FN4O2/c1-30-21-12-11-17(26)14-18(21)22(15-7-3-2-4-8-15)28-23(25(30)32)29-24(31)20-13-16-9-5-6-10-19(16)27-20/h2-14,23,27H,1H3,(H,29,31) | Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50019219
(CCK antagonist synthetic 20 | CHEMBL70456 | {3-[(1...)Show SMILES OC(=O)CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C26H20N4O4/c31-22(32)15-30-21-13-7-5-11-18(21)23(16-8-2-1-3-9-16)28-24(26(30)34)29-25(33)20-14-17-10-4-6-12-19(17)27-20/h1-14,24,27H,15H2,(H,29,33)(H,31,32) | Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50019260
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)Show SMILES Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8| Show InChI InChI=1S/C24H17FN4O2/c25-17-10-4-2-8-15(17)21-16-9-3-6-12-19(16)27-24(31)22(28-21)29-23(30)20-13-14-7-1-5-11-18(14)26-20/h1-13,22,26H,(H,27,31)(H,29,30) | Reactome pathway
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50019252
(1H-Indole-2-carboxylic acid (2-oxo-5-phenyl-2,3-di...)Show SMILES O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 |t:4| Show InChI InChI=1S/C24H18N4O2/c29-23(20-14-16-10-4-6-12-18(16)25-20)28-22-24(30)26-19-13-7-5-11-17(19)21(27-22)15-8-2-1-3-9-15/h1-14,22,25H,(H,26,30)(H,28,29) | Reactome pathway
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cholecystokinin
(RAT) | BDBM50060321
(1H-Indole-2-carboxylic acid ((R)-1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |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-/m0/s1 | Reactome pathway
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| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82388
(CCK antagonist synthetic 11)Show SMILES CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9| Show InChI InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1 | Reactome pathway
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| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50019808
((R)6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-m...)Show SMILES Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:18| Show InChI InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3 | Reactome pathway
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82392
(CCK antagonist synthetic 13)Show SMILES OC(=O)CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:12| Show InChI InChI=1S/C26H20FN3O3/c27-20-10-4-1-8-18(20)25-19-9-3-6-12-23(19)30(15-24(31)32)26(33)22(29-25)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,22,28H,13,15H2,(H,31,32)/t22-/m1/s1 | Reactome pathway
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82393
(CCK antagonist synthetic 9)Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8| Show InChI InChI=1S/C24H18FN3O/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)28-24(29)22(27-23)13-15-14-26-20-11-5-2-7-16(15)20/h1-12,14,22,26H,13H2,(H,28,29)/t22-/m1/s1 | Reactome pathway
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| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | BDBM50019808
((R)6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-m...)Show SMILES Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:18| Show InChI InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3 | PDB
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| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82386
(CCK antagonist synthetic 15)Show SMILES Cc1ccc2c(c[nH]c2c1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:16| Show InChI InChI=1S/C25H19FN4O2/c1-14-10-11-15-18(13-27-21(15)12-14)24(31)30-23-25(32)28-20-9-5-3-7-17(20)22(29-23)16-6-2-4-8-19(16)26/h2-13,23,27H,1H3,(H,28,32)(H,30,31) | Reactome pathway
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82391
(CCK antagonist synthetic 8)Show SMILES O=C1Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1 |c:10| Show InChI InChI=1S/C24H19N3O/c28-24-22(14-17-15-25-20-12-6-4-10-18(17)20)26-23(16-8-2-1-3-9-16)19-11-5-7-13-21(19)27-24/h1-13,15,22,25H,14H2,(H,27,28)/t22-/m1/s1 | Reactome pathway
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82389
(CCK antagonist synthetic 7)Show SMILES CN1c2ccc(Cl)cc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C25H20ClN3O/c1-29-23-12-11-18(26)14-20(23)24(16-7-3-2-4-8-16)28-22(25(29)30)13-17-15-27-21-10-6-5-9-19(17)21/h2-12,14-15,22,27H,13H2,1H3/t22-/m1/s1 | Reactome pathway
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50019777
(7-(9-Hydroxy-2-isobutyl-3-oxo-2,3,9,9a-tetrahydro-...)Show SMILES CC(C)C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O |r| Show InChI InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1 | Reactome pathway
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | BDBM50019260
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)Show SMILES Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8| Show InChI InChI=1S/C24H17FN4O2/c25-17-10-4-2-8-15(17)21-16-9-3-6-12-19(16)27-24(31)22(28-21)29-23(30)20-13-14-7-1-5-11-18(14)26-20/h1-13,22,26H,(H,27,31)(H,29,30) | PDB
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50019202
(7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...)Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1 | Reactome pathway
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| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82384
(Benzyloxycarbonyl CCK(27-32)NH2)Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS(O)(=O)=O)cc1)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)OCc1ccccc1 Show InChI InChI=1S/C43H53N7O13S3/c1-64-18-16-33(48-39(54)31(44)20-26-12-14-29(15-13-26)63-66(59,60)61)40(55)46-24-37(51)47-35(21-28-23-45-32-11-7-6-10-30(28)32)42(57)49-34(17-19-65-2)41(56)50-36(22-38(52)53)43(58)62-25-27-8-4-3-5-9-27/h3-15,23,31,33-36,45H,16-22,24-25,44H2,1-2H3,(H,46,55)(H,47,51)(H,48,54)(H,49,57)(H,50,56)(H,52,53)(H,59,60,61)/t31-,33-,34-,35-,36-/m0/s1 | Reactome pathway
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| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM82390
(CCK antagonist synthetic 6)Show SMILES Clc1ccc2NC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m0/s1 | PDB
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| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | BDBM82387
(CCK antagonist synthetic 22)Show SMILES CN1c2ccc(F)cc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C25H19FN4O2/c1-30-21-12-11-17(26)14-18(21)22(15-7-3-2-4-8-15)28-23(25(30)32)29-24(31)20-13-16-9-5-6-10-19(16)27-20/h2-14,23,27H,1H3,(H,29,31) | PDB
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| 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82390
(CCK antagonist synthetic 6)Show SMILES Clc1ccc2NC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m0/s1 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM82391
(CCK antagonist synthetic 8)Show SMILES O=C1Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1 |c:10| Show InChI InChI=1S/C24H19N3O/c28-24-22(14-17-15-25-20-12-6-4-10-18(17)20)26-23(16-8-2-1-3-9-16)19-11-5-7-13-21(19)27-24/h1-13,15,22,25H,14H2,(H,27,28)/t22-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50008673
(2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propio...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24) | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50019202
(7-Chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihy...)Show SMILES Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21| Show InChI InChI=1S/C24H18ClN3O/c25-17-10-11-21-19(13-17)23(15-6-2-1-3-7-15)27-22(24(29)28-21)12-16-14-26-20-9-5-4-8-18(16)20/h1-11,13-14,22,26H,12H2,(H,28,29)/t22-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | BDBM82388
(CCK antagonist synthetic 11)Show SMILES CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9| Show InChI InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50019274
(CCK antagonist synthetic 16 | CHEMBL72057 | N-[5-(...)Show InChI InChI=1S/C17H14FN3O2/c1-10(22)19-16-17(23)20-14-9-5-3-7-12(14)15(21-16)11-6-2-4-8-13(11)18/h2-9,16H,1H3,(H,19,22)(H,20,23) | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | BDBM50019219
(CCK antagonist synthetic 20 | CHEMBL70456 | {3-[(1...)Show SMILES OC(=O)CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C26H20N4O4/c31-22(32)15-30-21-13-7-5-11-18(21)23(16-8-2-1-3-9-16)28-24(26(30)34)29-25(33)20-14-17-10-4-6-12-19(17)27-20/h1-14,24,27H,15H2,(H,29,33)(H,31,32) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM82240
(CAS_3027 | Dibutyryl cGMP | Dibutyryl-cGMP | NSC_3...)Show SMILES CCCC(=O)Nc1nc2N(CNc2c(=O)[nH]1)C1OC2OP([O-])(=O)OC2C1OC(=O)CCC Show InChI InChI=1S/C17H24N5O9P/c1-3-5-8(23)19-17-20-13-10(14(25)21-17)18-7-22(13)15-11(28-9(24)6-4-2)12-16(29-15)31-32(26,27)30-12/h11-12,15-16,18H,3-7H2,1-2H3,(H,26,27)(H2,19,20,21,23,25)/p-1 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50019252
(1H-Indole-2-carboxylic acid (2-oxo-5-phenyl-2,3-di...)Show SMILES O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 |t:4| Show InChI InChI=1S/C24H18N4O2/c29-23(20-14-16-10-4-6-12-18(16)25-20)28-22-24(30)26-19-13-7-5-11-17(19)21(27-22)15-8-2-1-3-9-15/h1-14,22,25H,(H,26,30)(H,28,29) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | BDBM82392
(CCK antagonist synthetic 13)Show SMILES OC(=O)CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:12| Show InChI InChI=1S/C26H20FN3O3/c27-20-10-4-1-8-18(20)25-19-9-3-6-12-23(19)30(15-24(31)32)26(33)22(29-25)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,22,28H,13,15H2,(H,31,32)/t22-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50014888
(4-Benzoylamino-4-dipropylcarbamoyl-butyric acid | ...)Show InChI InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22) | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | BDBM82393
(CCK antagonist synthetic 9)Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8| Show InChI InChI=1S/C24H18FN3O/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)28-24(29)22(27-23)13-15-14-26-20-11-5-2-7-16(15)20/h1-12,14,22,26H,13H2,(H,28,29)/t22-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | BDBM50060321
(1H-Indole-2-carboxylic acid ((R)-1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |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-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | 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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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(RAT) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
GABA(A) receptor-associated protein
(GUINEA PIG) | 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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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 4918-22 (1986)
Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05 |
More data for this
Ligand-Target Pair | |
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