Found 9 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 |
|---|
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50126656
(CHEMBL263595 | Compound [Gly2]Venorphin)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C73H108N24O13/c1-40(2)33-55(95-68(108)58(36-45-38-86-50-18-8-6-16-48(45)50)96-67(107)57(35-44-37-85-49-17-7-5-15-47(44)49)90-60(100)39-87-63(103)56(89-42(4)98)34-43-24-26-46(99)27-25-43)66(106)93-53(21-12-30-83-72(78)79)65(105)92-52(20-11-29-82-71(76)77)64(104)88-41(3)62(102)94-54(22-13-31-84-73(80)81)70(110)97-32-14-23-59(97)69(109)91-51(61(75)101)19-9-10-28-74/h5-8,15-18,24-27,37-38,40-41,51-59,85-86,99H,9-14,19-23,28-36,39,74H2,1-4H3,(H2,75,101)(H,87,103)(H,88,104)(H,89,98)(H,90,100)(H,91,109)(H,92,105)(H,93,106)(H,94,102)(H,95,108)(H,96,107)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t41-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 using [3H]-Diprenorphine as radioligand in Chinese hamster ovary cells expressing cl... |
J Med Chem 46: 1279-82 (2003)
Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50126658
(CHEMBL438571 | Compound Venorphin)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C77H117N25O13/c1-43(2)37-59(69(110)97-57(24-14-34-88-76(83)84)67(108)95-56(23-13-33-87-75(81)82)66(107)92-44(3)65(106)98-58(25-15-35-89-77(85)86)74(115)102-36-16-26-63(102)73(114)94-54(64(80)105)21-9-11-31-78)99-71(112)62(40-48-42-91-53-20-8-6-18-51(48)53)101-72(113)61(39-47-41-90-52-19-7-5-17-50(47)52)100-68(109)55(22-10-12-32-79)96-70(111)60(93-45(4)103)38-46-27-29-49(104)30-28-46/h5-8,17-20,27-30,41-44,54-63,90-91,104H,9-16,21-26,31-40,78-79H2,1-4H3,(H2,80,105)(H,92,107)(H,93,103)(H,94,114)(H,95,108)(H,96,111)(H,97,110)(H,98,106)(H,99,112)(H,100,109)(H,101,113)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t44-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 using [3H]-Diprenorphine as radioligand in Chinese hamster ovary cells expressing cl... |
J Med Chem 46: 1279-82 (2003)
Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50126657
(CHEMBL414369 | cyclo(1-5)Tyr-Gly-Trp-Trp-Glu-Arg-A...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C73H105N23O14/c1-3-40(2)60(68(107)92-52(21-12-32-83-73(79)80)69(108)96-33-13-22-57(96)67(106)93-53(70(109)110)18-8-9-29-74)95-64(103)50(20-11-31-82-72(77)78)90-62(101)49(19-10-30-81-71(75)76)89-63(102)51-27-28-58(98)87-54(34-41-23-25-44(97)26-24-41)61(100)86-39-59(99)88-55(35-42-37-84-47-16-6-4-14-45(42)47)65(104)94-56(66(105)91-51)36-43-38-85-48-17-7-5-15-46(43)48/h4-7,14-17,23-26,37-38,40,49-57,60,84-85,97H,3,8-13,18-22,27-36,39,74H2,1-2H3,(H,86,100)(H,87,98)(H,88,99)(H,89,102)(H,90,101)(H,91,105)(H,92,107)(H,93,106)(H,94,104)(H,95,103)(H,109,110)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t40-,49-,50-,51-,52-,53-,54-,55-,56-,57+,60-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Opioid receptor kappa 1 using [3H]-Diprenorphine as radioligand in Chinese hamster ovary cells expressing cl... |
J Med Chem 46: 1279-82 (2003)
Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50126658
(CHEMBL438571 | Compound Venorphin)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C77H117N25O13/c1-43(2)37-59(69(110)97-57(24-14-34-88-76(83)84)67(108)95-56(23-13-33-87-75(81)82)66(107)92-44(3)65(106)98-58(25-15-35-89-77(85)86)74(115)102-36-16-26-63(102)73(114)94-54(64(80)105)21-9-11-31-78)99-71(112)62(40-48-42-91-53-20-8-6-18-51(48)53)101-72(113)61(39-47-41-90-52-19-7-5-17-50(47)52)100-68(109)55(22-10-12-32-79)96-70(111)60(93-45(4)103)38-46-27-29-49(104)30-28-46/h5-8,17-20,27-30,41-44,54-63,90-91,104H,9-16,21-26,31-40,78-79H2,1-4H3,(H2,80,105)(H,92,107)(H,93,103)(H,94,114)(H,95,108)(H,96,111)(H,97,110)(H,98,106)(H,99,112)(H,100,109)(H,101,113)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t44-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 using [3H]-DAMGO as radioligand in Chinese hamster ovary cells expressing cloned opioid... |
J Med Chem 46: 1279-82 (2003)
Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50126657
(CHEMBL414369 | cyclo(1-5)Tyr-Gly-Trp-Trp-Glu-Arg-A...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C73H105N23O14/c1-3-40(2)60(68(107)92-52(21-12-32-83-73(79)80)69(108)96-33-13-22-57(96)67(106)93-53(70(109)110)18-8-9-29-74)95-64(103)50(20-11-31-82-72(77)78)90-62(101)49(19-10-30-81-71(75)76)89-63(102)51-27-28-58(98)87-54(34-41-23-25-44(97)26-24-41)61(100)86-39-59(99)88-55(35-42-37-84-47-16-6-4-14-45(42)47)65(104)94-56(66(105)91-51)36-43-38-85-48-17-7-5-15-46(43)48/h4-7,14-17,23-26,37-38,40,49-57,60,84-85,97H,3,8-13,18-22,27-36,39,74H2,1-2H3,(H,86,100)(H,87,98)(H,88,99)(H,89,102)(H,90,101)(H,91,105)(H,92,107)(H,93,106)(H,94,104)(H,95,103)(H,109,110)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t40-,49-,50-,51-,52-,53-,54-,55-,56-,57+,60-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 using [3H]-DAMGO as radioligand in Chinese hamster ovary cells expressing cloned opioid... |
J Med Chem 46: 1279-82 (2003)
Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50126656
(CHEMBL263595 | Compound [Gly2]Venorphin)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C73H108N24O13/c1-40(2)33-55(95-68(108)58(36-45-38-86-50-18-8-6-16-48(45)50)96-67(107)57(35-44-37-85-49-17-7-5-15-47(44)49)90-60(100)39-87-63(103)56(89-42(4)98)34-43-24-26-46(99)27-25-43)66(106)93-53(21-12-30-83-72(78)79)65(105)92-52(20-11-29-82-71(76)77)64(104)88-41(3)62(102)94-54(22-13-31-84-73(80)81)70(110)97-32-14-23-59(97)69(109)91-51(61(75)101)19-9-10-28-74/h5-8,15-18,24-27,37-38,40-41,51-59,85-86,99H,9-14,19-23,28-36,39,74H2,1-4H3,(H2,75,101)(H,87,103)(H,88,104)(H,89,98)(H,90,100)(H,91,109)(H,92,105)(H,93,106)(H,94,102)(H,95,108)(H,96,107)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t41-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 using [3H]-DAMGO as radioligand in Chinese hamster ovary cells expressing cloned opioid... |
J Med Chem 46: 1279-82 (2003)
Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50126658
(CHEMBL438571 | Compound Venorphin)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C77H117N25O13/c1-43(2)37-59(69(110)97-57(24-14-34-88-76(83)84)67(108)95-56(23-13-33-87-75(81)82)66(107)92-44(3)65(106)98-58(25-15-35-89-77(85)86)74(115)102-36-16-26-63(102)73(114)94-54(64(80)105)21-9-11-31-78)99-71(112)62(40-48-42-91-53-20-8-6-18-51(48)53)101-72(113)61(39-47-41-90-52-19-7-5-17-50(47)52)100-68(109)55(22-10-12-32-79)96-70(111)60(93-45(4)103)38-46-27-29-49(104)30-28-46/h5-8,17-20,27-30,41-44,54-63,90-91,104H,9-16,21-26,31-40,78-79H2,1-4H3,(H2,80,105)(H,92,107)(H,93,103)(H,94,114)(H,95,108)(H,96,111)(H,97,110)(H,98,106)(H,99,112)(H,100,109)(H,101,113)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t44-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 using [3H]-DPDPE as radioligand in Chinese hamster ovary cells expressing cloned opi... |
J Med Chem 46: 1279-82 (2003)
Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50126657
(CHEMBL414369 | cyclo(1-5)Tyr-Gly-Trp-Trp-Glu-Arg-A...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C73H105N23O14/c1-3-40(2)60(68(107)92-52(21-12-32-83-73(79)80)69(108)96-33-13-22-57(96)67(106)93-53(70(109)110)18-8-9-29-74)95-64(103)50(20-11-31-82-72(77)78)90-62(101)49(19-10-30-81-71(75)76)89-63(102)51-27-28-58(98)87-54(34-41-23-25-44(97)26-24-41)61(100)86-39-59(99)88-55(35-42-37-84-47-16-6-4-14-45(42)47)65(104)94-56(66(105)91-51)36-43-38-85-48-17-7-5-15-46(43)48/h4-7,14-17,23-26,37-38,40,49-57,60,84-85,97H,3,8-13,18-22,27-36,39,74H2,1-2H3,(H,86,100)(H,87,98)(H,88,99)(H,89,102)(H,90,101)(H,91,105)(H,92,107)(H,93,106)(H,94,104)(H,95,103)(H,109,110)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t40-,49-,50-,51-,52-,53-,54-,55-,56-,57+,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 using [3H]-DPDPE as radioligand in Chinese hamster ovary cells expressing cloned opi... |
J Med Chem 46: 1279-82 (2003)
Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50126656
(CHEMBL263595 | Compound [Gly2]Venorphin)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C73H108N24O13/c1-40(2)33-55(95-68(108)58(36-45-38-86-50-18-8-6-16-48(45)50)96-67(107)57(35-44-37-85-49-17-7-5-15-47(44)49)90-60(100)39-87-63(103)56(89-42(4)98)34-43-24-26-46(99)27-25-43)66(106)93-53(21-12-30-83-72(78)79)65(105)92-52(20-11-29-82-71(76)77)64(104)88-41(3)62(102)94-54(22-13-31-84-73(80)81)70(110)97-32-14-23-59(97)69(109)91-51(61(75)101)19-9-10-28-74/h5-8,15-18,24-27,37-38,40-41,51-59,85-86,99H,9-14,19-23,28-36,39,74H2,1-4H3,(H2,75,101)(H,87,103)(H,88,104)(H,89,98)(H,90,100)(H,91,109)(H,92,105)(H,93,106)(H,94,102)(H,95,108)(H,96,107)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t41-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 using [3H]-DPDPE as radioligand in Chinese hamster ovary cells expressing cloned opi... |
J Med Chem 46: 1279-82 (2003)
Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK |
More data for this
Ligand-Target Pair | |
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