Found 6 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 |
|---|
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50026690
(2-[2-(2-{2-[2-{2-[2-(2-Amino-3-phenyl-propionylami...)Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
NCI-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Tested for the 50% inhibition level against [125I]- gastrin binding in AR42J cells |
J Med Chem 37: 3812-8 (1994)
BindingDB Entry DOI: 10.7270/Q2TM7BRX |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50026690
(2-[2-(2-{2-[2-{2-[2-(2-Amino-3-phenyl-propionylami...)Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Tested in vitro by the gastrin binding assay for the competitive binding with iodinated gastrin for the gastrin receptors in AR42J cells |
J Med Chem 37: 3812-8 (1994)
BindingDB Entry DOI: 10.7270/Q2TM7BRX |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50037873
(CBS-2 | CHEMBL341130)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl |w:35.38| Show InChI InChI=1S/C27H31ClN6O5/c28-13-15-31-33-34(18-19-6-2-1-3-7-19)26(37)11-10-24(35)29-14-12-25(36)32-23(27(38)39)16-20-17-30-22-9-5-4-8-21(20)22/h1-9,17,23,30H,10-16,18H2,(H,29,35)(H,32,36)(H,38,39) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a |
NCI-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Tested for the 50% inhibition level against [125I]- gastrin binding in AR42J cells |
J Med Chem 37: 3812-8 (1994)
BindingDB Entry DOI: 10.7270/Q2TM7BRX |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50026690
(2-[2-(2-{2-[2-{2-[2-(2-Amino-3-phenyl-propionylami...)Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a |
NCI-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Tested in vitro for gastrin binding to gastrin receptors from guinea pig gastric glands |
J Med Chem 37: 3812-8 (1994)
BindingDB Entry DOI: 10.7270/Q2TM7BRX |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037874
(CBS-5 | CHEMBL124944)Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)NC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O |w:40.43| Show InChI InChI=1S/C45H55ClN10O9S/c1-28(50-38(57)17-18-39(58)56(55-49-21-20-46)27-30-13-7-4-8-14-30)42(62)53-36(24-31-26-48-33-16-10-9-15-32(31)33)44(64)51-34(19-22-66-2)43(63)54-37(25-40(59)60)45(65)52-35(41(47)61)23-29-11-5-3-6-12-29/h3-16,26,28,34-37,48H,17-25,27H2,1-2H3,(H2,47,61)(H,50,57)(H,51,64)(H,52,65)(H,53,62)(H,54,63)(H,59,60) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
NCI-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Tested for the 50% inhibition level against [125I]- gastrin binding to guinea pig gastric glands |
J Med Chem 37: 3812-8 (1994)
BindingDB Entry DOI: 10.7270/Q2TM7BRX |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50037875
(CBS-4 | CHEMBL341330)Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O |w:35.38| Show InChI InChI=1S/C42H50ClN9O8S/c1-61-21-18-32(40(58)50-35(24-38(55)56)42(60)49-33(39(44)57)22-27-10-4-2-5-11-27)48-41(59)34(23-29-25-45-31-15-9-8-14-30(29)31)47-36(53)16-17-37(54)52(51-46-20-19-43)26-28-12-6-3-7-13-28/h2-15,25,32-35,45H,16-24,26H2,1H3,(H2,44,57)(H,47,53)(H,48,59)(H,49,60)(H,50,58)(H,55,56) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
NCI-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Tested for the 50% inhibition level against [125I]- gastrin binding to guinea pig gastric glands |
J Med Chem 37: 3812-8 (1994)
BindingDB Entry DOI: 10.7270/Q2TM7BRX |
More data for this
Ligand-Target Pair | |
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