Found 10 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 receptor type A
(Homo sapiens (Human)) | BDBM50215386
((S)-5-(2-((S)-1-((S)-1-((S)-1-((S)-1-(3-amino-1-((...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)N(CCN(CCC(O)=O)CCC(O)=O)CCN(CCC(O)=O)CCC(O)=O)C(=O)NC(CN)C(=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 |w:80.81| Show InChI InChI=1S/C82H110N16O27S2/c1-126-36-26-55(74(117)93-61(42-71(112)113)79(122)90-57(73(84)116)38-47-8-4-3-5-9-47)89-78(121)60(41-50-45-85-54-11-7-6-10-53(50)54)92-81(124)63(44-83)95-75(118)56(27-37-127-2)88-77(120)59(40-49-14-18-52(100)19-15-49)91-80(123)62(43-72(114)115)94-76(119)58(39-48-12-16-51(99)17-13-48)87-65(101)46-86-82(125)64(20-21-66(102)103)98(34-32-96(28-22-67(104)105)29-23-68(106)107)35-33-97(30-24-69(108)109)31-25-70(110)111/h3-19,45,55-64,85,99-100H,20-44,46,83H2,1-2H3,(H2,84,116)(H,86,125)(H,87,101)(H,88,120)(H,89,121)(H,90,122)(H,91,123)(H,92,124)(H,93,117)(H,94,119)(H,95,118)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)/t55-,56-,57-,58-,59-,60-,61-,62-,63?,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50215383
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(5S,8S,11S)-11-...)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)NC1CNC(=O)CNC(=O)[C@H](CCCNCc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O |w:73.75,33.33| Show InChI InChI=1S/C55H72N12O17S3/c1-85-21-18-39-50(75)66-43(26-47(71)72)54(79)61-38(13-8-20-57-27-32-9-4-3-5-10-32)49(74)60-30-45(68)59-29-44(55(80)65-42(53(78)63-39)24-33-28-58-37-12-7-6-11-35(33)37)67-51(76)40(19-22-86-2)62-52(77)41(64-48(73)36(56)25-46(69)70)23-31-14-16-34(17-15-31)84-87(81,82)83/h3-7,9-12,14-17,28,36,38-44,57-58H,8,13,18-27,29-30,56H2,1-2H3,(H,59,68)(H,60,74)(H,61,79)(H,62,77)(H,63,78)(H,64,73)(H,65,80)(H,66,75)(H,67,76)(H,69,70)(H,71,72)(H,81,82,83)/t36-,38-,39-,40-,41-,42?,43-,44?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50215381
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S,5S,8S)-11-[...)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)NC1CNC(=O)CNC(=O)C(CCNCc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:42.43,33.33| Show InChI InChI=1S/C54H70N12O17S3/c1-84-20-17-38-49(74)65-42(25-46(70)71)53(78)60-37(16-19-56-26-31-8-4-3-5-9-31)48(73)59-29-44(67)58-28-43(54(79)64-41(52(77)62-38)23-32-27-57-36-11-7-6-10-34(32)36)66-50(75)39(18-21-85-2)61-51(76)40(63-47(72)35(55)24-45(68)69)22-30-12-14-33(15-13-30)83-86(80,81)82/h3-15,27,35,37-43,56-57H,16-26,28-29,55H2,1-2H3,(H,58,67)(H,59,73)(H,60,78)(H,61,76)(H,62,77)(H,63,72)(H,64,79)(H,65,74)(H,66,75)(H,68,69)(H,70,71)(H,80,81,82)/t35-,37?,38-,39-,40-,41-,42-,43?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50215385
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S,5S,8S,11S)-...)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)NC1CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33| Show InChI InChI=1S/C46H61N11O17S3/c1-23-39(63)50-22-36(58)49-21-35(57-42(66)31(13-15-76-3)52-44(68)32(54-40(64)28(47)18-37(59)60)16-24-8-10-26(11-9-24)74-77(71,72)73)46(70)55-33(17-25-20-48-29-7-5-4-6-27(25)29)45(69)53-30(12-14-75-2)41(65)56-34(19-38(61)62)43(67)51-23/h4-11,20,23,28,30-35,48H,12-19,21-22,47H2,1-3H3,(H,49,58)(H,50,63)(H,51,67)(H,52,68)(H,53,69)(H,54,64)(H,55,70)(H,56,65)(H,57,66)(H,59,60)(H,61,62)(H,71,72,73)/t23-,28-,30-,31-,32-,33-,34-,35?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50215388
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S,5S,8S)-11-[...)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)NC1CNC(=O)CNC(=O)C(CNCc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33,42.43| Show InChI InChI=1S/C53H68N12O17S3/c1-83-18-16-36-48(73)63-40(23-45(69)70)52(77)64-41(26-55-24-30-8-4-3-5-9-30)47(72)58-28-43(66)57-27-42(53(78)62-39(51(76)60-36)21-31-25-56-35-11-7-6-10-33(31)35)65-49(74)37(17-19-84-2)59-50(75)38(61-46(71)34(54)22-44(67)68)20-29-12-14-32(15-13-29)82-85(79,80)81/h3-15,25,34,36-42,55-56H,16-24,26-28,54H2,1-2H3,(H,57,66)(H,58,72)(H,59,75)(H,60,76)(H,61,71)(H,62,78)(H,63,73)(H,64,77)(H,65,74)(H,67,68)(H,69,70)(H,79,80,81)/t34-,36-,37-,38-,39-,40-,41?,42?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50215379
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12S,1...)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)NC1CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33| Show InChI InChI=1S/C56H74N12O17S3/c1-86-22-19-39-50(75)67-44(28-47(71)72)55(80)65-42(24-31-10-4-3-5-11-31)53(78)61-38(14-8-9-21-57)49(74)60-30-45(56(81)66-43(54(79)63-39)26-33-29-59-37-13-7-6-12-35(33)37)68-51(76)40(20-23-87-2)62-52(77)41(64-48(73)36(58)27-46(69)70)25-32-15-17-34(18-16-32)85-88(82,83)84/h3-7,10-13,15-18,29,36,38-45,59H,8-9,14,19-28,30,57-58H2,1-2H3,(H,60,74)(H,61,78)(H,62,77)(H,63,79)(H,64,73)(H,65,80)(H,66,81)(H,67,75)(H,68,76)(H,69,70)(H,71,72)(H,82,83,84)/t36-,38-,39-,40-,41-,42-,43-,44-,45?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50215384
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S,5S,8S,11S)-...)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)NC1CNC(=O)CNC(=O)[C@H](CCCCNCc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33| Show InChI InChI=1S/C56H74N12O17S3/c1-86-22-19-40-51(76)67-44(27-48(72)73)55(80)62-39(14-8-9-21-58-28-33-10-4-3-5-11-33)50(75)61-31-46(69)60-30-45(56(81)66-43(54(79)64-40)25-34-29-59-38-13-7-6-12-36(34)38)68-52(77)41(20-23-87-2)63-53(78)42(65-49(74)37(57)26-47(70)71)24-32-15-17-35(18-16-32)85-88(82,83)84/h3-7,10-13,15-18,29,37,39-45,58-59H,8-9,14,19-28,30-31,57H2,1-2H3,(H,60,69)(H,61,75)(H,62,80)(H,63,78)(H,64,79)(H,65,74)(H,66,81)(H,67,76)(H,68,77)(H,70,71)(H,72,73)(H,82,83,84)/t37-,39-,40-,41-,42-,43-,44-,45?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50215387
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S,5S,8S,11S)-...)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)NC1CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33| Show InChI InChI=1S/C52H65N11O17S3/c1-81-18-16-35-47(71)62-40(24-44(67)68)51(75)60-37(20-28-8-4-3-5-9-28)46(70)56-27-42(64)55-26-41(52(76)61-39(50(74)58-35)22-30-25-54-34-11-7-6-10-32(30)34)63-48(72)36(17-19-82-2)57-49(73)38(59-45(69)33(53)23-43(65)66)21-29-12-14-31(15-13-29)80-83(77,78)79/h3-15,25,33,35-41,54H,16-24,26-27,53H2,1-2H3,(H,55,64)(H,56,70)(H,57,73)(H,58,74)(H,59,69)(H,60,75)(H,61,76)(H,62,71)(H,63,72)(H,65,66)(H,67,68)(H,77,78,79)/t33-,35-,36-,37-,38-,39-,40-,41?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50215380
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12S)-...)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)NC1CNC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33| Show InChI InChI=1S/C53H67N11O17S3/c1-82-20-17-36-48(72)63-41(26-45(68)69)52(76)61-38(22-29-8-4-3-5-9-29)47(71)55-19-16-43(65)57-28-42(53(77)62-40(51(75)59-36)24-31-27-56-35-11-7-6-10-33(31)35)64-49(73)37(18-21-83-2)58-50(74)39(60-46(70)34(54)25-44(66)67)23-30-12-14-32(15-13-30)81-84(78,79)80/h3-15,27,34,36-42,56H,16-26,28,54H2,1-2H3,(H,55,71)(H,57,65)(H,58,74)(H,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,72)(H,64,73)(H,66,67)(H,68,69)(H,78,79,80)/t34-,36-,37-,38-,39-,40-,41-,42?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50215382
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12S,1...)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)NC1CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |w:33.33| Show InChI InChI=1S/C53H67N11O17S3/c1-28-45(69)56-27-42(64-48(72)37(18-20-83-3)58-50(74)39(60-46(70)34(54)24-43(65)66)22-30-13-15-32(16-14-30)81-84(78,79)80)53(77)62-40(23-31-26-55-35-12-8-7-11-33(31)35)51(75)59-36(17-19-82-2)47(71)63-41(25-44(67)68)52(76)61-38(49(73)57-28)21-29-9-5-4-6-10-29/h4-16,26,28,34,36-42,55H,17-25,27,54H2,1-3H3,(H,56,69)(H,57,73)(H,58,74)(H,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,71)(H,64,72)(H,65,66)(H,67,68)(H,78,79,80)/t28-,34-,36-,37-,38-,39-,40-,41-,42?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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Istituto di Biostrutture e Bioimmagini CNR
Curated by ChEMBL
| Assay Description
Displacement of [111In]DTPAGlu-Gly-[Tyr27(SO3H)]CCK8 from human CCK1 receptor expressed in A431 cells |
Bioorg Med Chem 15: 5845-53 (2007)
Article DOI: 10.1016/j.bmc.2007.05.067
BindingDB Entry DOI: 10.7270/Q2GB23R8 |
More data for this
Ligand-Target Pair | |
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