Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50001547 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/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50016425
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | 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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.491 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50016425
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50016424
(CHEMBL216677 | N-(2-Amino-1-benzyl-ethyl)-3-{2-[2-...)Show SMILES CCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)CC(NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CN)Cc1ccccc1 Show InChI InChI=1S/C60H83N11O16S/c1-6-8-20-43-52(75)65-45(23-15-16-28-62-50(72)32-48(71-59(82)86-60(3,4)5)58(81)68-46(56(79)66-43)30-37-24-26-40(27-25-37)87-88(83,84)85)54(77)69-47(31-38-35-63-42-22-14-13-19-41(38)42)57(80)67-44(21-9-7-2)53(76)70-49(33-51(73)74)55(78)64-39(34-61)29-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,39,43-49,63H,6-9,15-16,20-21,23,28-34,61H2,1-5H3,(H,62,72)(H,64,78)(H,65,75)(H,66,79)(H,67,80)(H,68,81)(H,69,77)(H,70,76)(H,71,82)(H,73,74)(H,83,84,85)/t39-,43-,44-,45+,46+,47?,48?,49-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50016426
(3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylami...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C60H83N11O18S/c1-6-8-20-41(65-55(80)45(30-36-24-26-38(27-25-36)89-90(85,86)87)68-58(83)48(33-50(74)75)71-59(84)88-60(3,4)5)52(77)64-43(23-15-16-28-61)54(79)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(81)66-42(21-9-7-2)53(78)70-47(32-49(72)73)57(82)67-44(51(62)76)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33,61H2,1-5H3,(H2,62,76)(H,64,77)(H,65,80)(H,66,81)(H,67,82)(H,68,83)(H,69,79)(H,70,78)(H,71,84)(H,72,73)(H,74,75)(H,85,86,87)/t41-,42-,43+,44-,45-,46-,47-,48-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50016426
(3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylami...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C60H83N11O18S/c1-6-8-20-41(65-55(80)45(30-36-24-26-38(27-25-36)89-90(85,86)87)68-58(83)48(33-50(74)75)71-59(84)88-60(3,4)5)52(77)64-43(23-15-16-28-61)54(79)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(81)66-42(21-9-7-2)53(78)70-47(32-49(72)73)57(82)67-44(51(62)76)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33,61H2,1-5H3,(H2,62,76)(H,64,77)(H,65,80)(H,66,81)(H,67,82)(H,68,83)(H,69,79)(H,70,78)(H,71,84)(H,72,73)(H,74,75)(H,85,86,87)/t41-,42-,43+,44-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50016421
(3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylami...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C51H74N10O17S/c1-6-8-15-34(56-47(70)38(24-29-19-21-31(22-20-29)78-79(74,75)76)59-49(72)40(27-42(64)65)61-50(73)77-51(3,4)5)44(67)55-36(18-12-13-23-52)46(69)60-39(25-30-28-54-33-17-11-10-14-32(30)33)48(71)57-35(16-9-7-2)45(68)58-37(43(53)66)26-41(62)63/h10-11,14,17,19-22,28,34-40,54H,6-9,12-13,15-16,18,23-27,52H2,1-5H3,(H2,53,66)(H,55,67)(H,56,70)(H,57,71)(H,58,68)(H,59,72)(H,60,69)(H,61,73)(H,62,63)(H,64,65)(H,74,75,76)/t34-,35-,36+,37-,38-,39-,40-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50016424
(CHEMBL216677 | N-(2-Amino-1-benzyl-ethyl)-3-{2-[2-...)Show SMILES CCCC[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)CC(NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CN)Cc1ccccc1 Show InChI InChI=1S/C60H83N11O16S/c1-6-8-20-43-52(75)65-45(23-15-16-28-62-50(72)32-48(71-59(82)86-60(3,4)5)58(81)68-46(56(79)66-43)30-37-24-26-40(27-25-37)87-88(83,84)85)54(77)69-47(31-38-35-63-42-22-14-13-19-41(38)42)57(80)67-44(21-9-7-2)53(76)70-49(33-51(73)74)55(78)64-39(34-61)29-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,39,43-49,63H,6-9,15-16,20-21,23,28-34,61H2,1-5H3,(H,62,72)(H,64,78)(H,65,75)(H,66,79)(H,67,80)(H,68,81)(H,69,77)(H,70,76)(H,71,82)(H,73,74)(H,83,84,85)/t39-,43-,44-,45+,46+,47?,48?,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50016423
(3-{2-[2-{[9-tert-Butoxycarbonylamino-3-butyl-2,5,8...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C51H72N10O16S/c1-6-8-15-34-44(66)55-36(46(68)60-39(25-30-28-54-33-17-11-10-14-32(30)33)48(70)57-35(16-9-7-2)45(67)58-37(43(52)65)27-42(63)64)18-12-13-23-53-41(62)26-40(61-50(72)76-51(3,4)5)49(71)59-38(47(69)56-34)24-29-19-21-31(22-20-29)77-78(73,74)75/h10-11,14,17,19-22,28,34-40,54H,6-9,12-13,15-16,18,23-27H2,1-5H3,(H2,52,65)(H,53,62)(H,55,66)(H,56,69)(H,57,70)(H,58,67)(H,59,71)(H,60,68)(H,61,72)(H,63,64)(H,73,74,75)/t34-,35-,36+,37-,38+,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50016422
(3-{[9-[2-Amino-3-(4-sulfooxy-phenyl)-propionylamin...)Show SMILES N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H54N10O14S/c46-30(18-26-13-15-28(16-14-26)69-70(66,67)68)41(61)54-35-21-37(56)48-17-7-6-12-32(43(63)55-36(22-39(58)59)45(65)53-33(40(47)60)19-25-8-2-1-3-9-25)52-44(64)34(51-38(57)24-50-42(35)62)20-27-23-49-31-11-5-4-10-29(27)31/h1-5,8-11,13-16,23,30,32-36,49H,6-7,12,17-22,24,46H2,(H2,47,60)(H,48,56)(H,50,62)(H,51,57)(H,52,64)(H,53,65)(H,54,61)(H,55,63)(H,58,59)(H,66,67,68)/t30-,32+,33-,34+,35-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50016422
(3-{[9-[2-Amino-3-(4-sulfooxy-phenyl)-propionylamin...)Show SMILES N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H54N10O14S/c46-30(18-26-13-15-28(16-14-26)69-70(66,67)68)41(61)54-35-21-37(56)48-17-7-6-12-32(43(63)55-36(22-39(58)59)45(65)53-33(40(47)60)19-25-8-2-1-3-9-25)52-44(64)34(51-38(57)24-50-42(35)62)20-27-23-49-31-11-5-4-10-29(27)31/h1-5,8-11,13-16,23,30,32-36,49H,6-7,12,17-22,24,46H2,(H2,47,60)(H,48,56)(H,50,62)(H,51,57)(H,52,64)(H,53,65)(H,54,61)(H,55,63)(H,58,59)(H,66,67,68)/t30-,32+,33-,34+,35-,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50016423
(3-{2-[2-{[9-tert-Butoxycarbonylamino-3-butyl-2,5,8...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C51H72N10O16S/c1-6-8-15-34-44(66)55-36(46(68)60-39(25-30-28-54-33-17-11-10-14-32(30)33)48(70)57-35(16-9-7-2)45(67)58-37(43(52)65)27-42(63)64)18-12-13-23-53-41(62)26-40(61-50(72)76-51(3,4)5)49(71)59-38(47(69)56-34)24-29-19-21-31(22-20-29)77-78(73,74)75/h10-11,14,17,19-22,28,34-40,54H,6-9,12-13,15-16,18,23-27H2,1-5H3,(H2,52,65)(H,53,62)(H,55,66)(H,56,69)(H,57,70)(H,58,67)(H,59,71)(H,60,68)(H,61,72)(H,63,64)(H,73,74,75)/t34-,35-,36+,37-,38+,39-,40-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD conce... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50016421
(3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylami...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C51H74N10O17S/c1-6-8-15-34(56-47(70)38(24-29-19-21-31(22-20-29)78-79(74,75)76)59-49(72)40(27-42(64)65)61-50(73)77-51(3,4)5)44(67)55-36(18-12-13-23-52)46(69)60-39(25-30-28-54-33-17-11-10-14-32(30)33)48(71)57-35(16-9-7-2)45(68)58-37(43(53)66)26-41(62)63/h10-11,14,17,19-22,28,34-40,54H,6-9,12-13,15-16,18,23-27,52H2,1-5H3,(H2,53,66)(H,55,67)(H,56,70)(H,57,71)(H,58,68)(H,59,72)(H,60,69)(H,61,73)(H,62,63)(H,64,65)(H,74,75,76)/t34-,35-,36+,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane... |
J Med Chem 30: 962-8 (1987)
BindingDB Entry DOI: 10.7270/Q21J98R1 |
More data for this
Ligand-Target Pair | |
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