Found 7 hits Enz. Inhib. hit(s) with all data for entry = 5040 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
(RAT) | 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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PC cid
PC sid
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Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x
BindingDB Entry DOI: 10.7270/Q28W3BT3 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(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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| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x
BindingDB Entry DOI: 10.7270/Q28W3BT3 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM84958
(2-[[(R)-2-(1H-Indol-2-ylcarbonylamino)-3-(4-benzhy...)Show SMILES OC(=O)c1cccnc1SC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H33N5O4S/c41-32(29-22-26-14-7-8-16-28(26)37-29)38-30(23-45-33-27(35(43)44)15-9-17-36-33)34(42)40-20-18-39(19-21-40)31(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-17,22,30-31,37H,18-21,23H2,(H,38,41)(H,43,44)/t30-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x
BindingDB Entry DOI: 10.7270/Q28W3BT3 |
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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PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x
BindingDB Entry DOI: 10.7270/Q28W3BT3 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(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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| Article
PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x
BindingDB Entry DOI: 10.7270/Q28W3BT3 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM84958
(2-[[(R)-2-(1H-Indol-2-ylcarbonylamino)-3-(4-benzhy...)Show SMILES OC(=O)c1cccnc1SC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H33N5O4S/c41-32(29-22-26-14-7-8-16-28(26)37-29)38-30(23-45-33-27(35(43)44)15-9-17-36-33)34(42)40-20-18-39(19-21-40)31(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-17,22,30-31,37H,18-21,23H2,(H,38,41)(H,43,44)/t30-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x
BindingDB Entry DOI: 10.7270/Q28W3BT3 |
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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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Occupational and Environmental Health
Curated by PDSP Ki Database
| |
Br J Pharmacol 117: 1558-64 (1996)
Article DOI: 10.1111/j.1476-5381.1996.tb15321.x
BindingDB Entry DOI: 10.7270/Q28W3BT3 |
More data for this
Ligand-Target Pair | |
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