BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50036456   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM21146
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H66N10O13/c1-3-4-19-45(54(77)64-43(29-48(70)71)53(76)61-40(49(57)72)24-32-13-7-5-8-14-32)65(2)55(78)44(27-35-30-58-39-18-12-11-17-37(35)39)60-46(67)31-59-51(74)41(25-33-15-9-6-10-16-33)63-52(75)42(26-34-20-22-36(66)23-21-34)62-50(73)38(56)28-47(68)69/h5-18,20-23,30,38,40-45,58,66H,3-4,19,24-29,31,56H2,1-2H3,(H2,57,72)(H,59,74)(H,60,67)(H,61,76)(H,62,73)(H,63,75)(H,64,77)(H,68,69)(H,70,71)/t38-,40-,41+,42-,43-,44-,45-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.790n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was determined in guinea pig cortex using [3H]SNF8702 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was determined in guinea pig wholebrain using [3H][4''-Cl-Phe4]-DPDPE as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM21146
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H66N10O13/c1-3-4-19-45(54(77)64-43(29-48(70)71)53(76)61-40(49(57)72)24-32-13-7-5-8-14-32)65(2)55(78)44(27-35-30-58-39-18-12-11-17-37(35)39)60-46(67)31-59-51(74)41(25-33-15-9-6-10-16-33)63-52(75)42(26-34-20-22-36(66)23-21-34)62-50(73)38(56)28-47(68)69/h5-18,20-23,30,38,40-45,58,66H,3-4,19,24-29,31,56H2,1-2H3,(H2,57,72)(H,59,74)(H,60,67)(H,61,76)(H,62,73)(H,63,75)(H,64,77)(H,68,69)(H,70,71)/t38-,40-,41+,42-,43-,44-,45-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was determined in guinea pig wholebrain using [3H][4''-Cl-Phe4]-DPDPE as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50422178
PNG
(CHEMBL2112688)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was determined in guinea pig wholebrain using [3H][4''-Cl-Phe4]-DPDPE as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422175
PNG
(CHEMBL2112689)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39-,41-,42+,43-,44-,45-,49-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was determined in guinea pig cortex using [3H]SNF8702 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50422175
PNG
(CHEMBL2112689)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39-,41-,42+,43-,44-,45-,49-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was determined in guinea pig wholebrain using [3H][4''-Cl-Phe4]-DPDPE as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21146
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H66N10O13/c1-3-4-19-45(54(77)64-43(29-48(70)71)53(76)61-40(49(57)72)24-32-13-7-5-8-14-32)65(2)55(78)44(27-35-30-58-39-18-12-11-17-37(35)39)60-46(67)31-59-51(74)41(25-33-15-9-6-10-16-33)63-52(75)42(26-34-20-22-36(66)23-21-34)62-50(73)38(56)28-47(68)69/h5-18,20-23,30,38,40-45,58,66H,3-4,19,24-29,31,56H2,1-2H3,(H2,57,72)(H,59,74)(H,60,67)(H,61,76)(H,62,73)(H,63,75)(H,64,77)(H,68,69)(H,70,71)/t38-,40-,41+,42-,43-,44-,45-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was determined in guinea pig wholebrain using [3H]CTOP radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50422177
PNG
(CHEMBL2111881)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was determined in guinea pig wholebrain using [3H][4''-Cl-Phe4]-DPDPE as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50422178
PNG
(CHEMBL2112688)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49+/m1/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor was determined in guinea pig pancreatic membranes using [125I]-BH-CCK-8 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50422176
PNG
(CHEMBL2111882)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39-,41-,42+,43-,44-,45-,49+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 was determined in guinea pig wholebrain using [3H][4''-Cl-Phe4]-DPDPE as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50422175
PNG
(CHEMBL2112689)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39-,41-,42+,43-,44-,45-,49-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.20E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor was determined in guinea pig pancreatic membranes using [125I]-BH-CCK-8 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422178
PNG
(CHEMBL2112688)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was determined in guinea pig cortex using [3H]SNF8702 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50422178
PNG
(CHEMBL2112688)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.05E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was determined in guinea pig wholebrain using [3H]CTOP radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422176
PNG
(CHEMBL2111882)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39-,41-,42+,43-,44-,45-,49+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was determined in guinea pig cortex using [3H]SNF8702 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50422177
PNG
(CHEMBL2111881)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor was determined in guinea pig cortex using [3H]SNF8702 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50422175
PNG
(CHEMBL2112689)
Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39-,41-,42+,43-,44-,45-,49-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was determined in guinea pig wholebrain using [3H]CTOP radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was determined in guinea pig wholebrain using [3H]CTOP radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50422176
PNG
(CHEMBL2111882)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39-,41-,42+,43-,44-,45-,49+/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor was determined in guinea pig pancreatic membranes using [125I]-BH-CCK-8 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM50422177
PNG
(CHEMBL2111881)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49-/m1/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor was determined in guinea pig pancreatic membranes using [125I]-BH-CCK-8 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)		BDBM21146
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H66N10O13/c1-3-4-19-45(54(77)64-43(29-48(70)71)53(76)61-40(49(57)72)24-32-13-7-5-8-14-32)65(2)55(78)44(27-35-30-58-39-18-12-11-17-37(35)39)60-46(67)31-59-51(74)41(25-33-15-9-6-10-16-33)63-52(75)42(26-34-20-22-36(66)23-21-34)62-50(73)38(56)28-47(68)69/h5-18,20-23,30,38,40-45,58,66H,3-4,19,24-29,31,56H2,1-2H3,(H2,57,72)(H,59,74)(H,60,67)(H,61,76)(H,62,73)(H,63,75)(H,64,77)(H,68,69)(H,70,71)/t38-,40-,41+,42-,43-,44-,45-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.20E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor was determined in guinea pig pancreatic membranes using [125I]-BH-CCK-8 as radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50422176
PNG
(CHEMBL2111882)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39-,41-,42+,43-,44-,45-,49+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was determined in guinea pig wholebrain using [3H]CTOP radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50422177
PNG
(CHEMBL2111881)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)[C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O13/c1-4-5-20-45(55(78)64-44(29-48(71)72)54(77)61-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)49(32(2)38-30-59-40-19-13-12-18-37(38)40)65-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)63-53(76)43(27-35-21-23-36(67)24-22-35)62-51(74)39(57)28-47(69)70/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,77)(H,62,74)(H,63,76)(H,64,78)(H,65,68)(H,69,70)(H,71,72)/t32-,39+,41+,42-,43+,44+,45+,49-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 was determined in guinea pig wholebrain using [3H]CTOP radioligand

J Med Chem 39: 4120-4 (1996)


Article DOI: 10.1021/jm960078j
BindingDB Entry DOI: 10.7270/Q2P55P5Z
More data for this
Ligand-Target Pair