BindingDB logo
myBDB logout

35 similar compounds to monomer 50000505

Compile data set for download or QSAR
Wt: 1265.4
BDBM50449782
Wt: 818.0
BDBM50000508
Wt: 757.8
BDBM50000509
Wt: 818.0
BDBM50000511
Wt: 818.0
BDBM50000513
Wt: 818.0
BDBM50000515
Wt: 818.0
BDBM50000517
Wt: 766.9
BDBM50001451
Purchase
Wt: 752.9
BDBM50001440
Wt: 895.0
BDBM50001594
Wt: 943.1
BDBM50001597
Wt: 933.1
BDBM50009137
Wt: 934.0
BDBM50009186
Wt: 875.0
BDBM50009187
Wt: 981.1
BDBM50009190
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50449782,50000508,50000509,50000511,50000513,50000515,50000517,50001451,50001440,50001594,50001597,50009137,50009186,50009187,50009190   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009137
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C42H60N8O12S2/c1-23(2)18-31(40(60)46-29(15-17-64-4)38(58)47-30(36(44)56)21-34(52)53)48-42(62)33(22-35(54)55)50-41(61)32(20-24-8-6-5-7-9-24)49-39(59)28(14-16-63-3)45-37(57)27(43)19-25-10-12-26(51)13-11-25/h5-13,23,27-33,51H,14-22,43H2,1-4H3,(H2,44,56)(H,45,57)(H,46,60)(H,47,58)(H,48,62)(H,49,59)(H,50,61)(H,52,53)(H,54,55)/t27-,28+,29-,30-,31-,32-,33-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in P2 membrane preparation of rat brain by [3H]DADLE displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000513
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28-,29+,30-,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.5n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000508
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28-,29-,30-,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000509
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C36H51N7O9S/c1-20(2)16-28(35(51)40-26(14-15-53-4)34(50)41-27(31(38)47)19-30(45)46)43-36(52)29(18-22-8-6-5-7-9-22)42-32(48)21(3)39-33(49)25(37)17-23-10-12-24(44)13-11-23/h5-13,20-21,25-29,44H,14-19,37H2,1-4H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,43,52)(H,45,46)/t21-,25+,26+,27+,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000517
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28+,29-,30-,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000515
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28-,29-,30+,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000513
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28-,29+,30-,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
267n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAGO binding to rat Opioid receptor mu 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000515
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28-,29-,30+,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAGO binding to rat Opioid receptor mu 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000508
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28-,29-,30-,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
352n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAGO binding to rat Opioid receptor mu 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000517
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28+,29-,30-,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
407n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAGO binding to rat Opioid receptor mu 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000509
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C36H51N7O9S/c1-20(2)16-28(35(51)40-26(14-15-53-4)34(50)41-27(31(38)47)19-30(45)46)43-36(52)29(18-22-8-6-5-7-9-22)42-32(48)21(3)39-33(49)25(37)17-23-10-12-24(44)13-11-23/h5-13,20-21,25-29,44H,14-19,37H2,1-4H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,43,52)(H,45,46)/t21-,25+,26+,27+,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
567n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAGO binding to rat Opioid receptor mu 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000511
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28-,29-,30-,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
742n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000511
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C38H55N7O9S2/c1-22(2)18-30(37(53)42-28(15-17-56-4)35(51)43-29(33(40)49)21-32(47)48)44-38(54)31(20-23-8-6-5-7-9-23)45-36(52)27(14-16-55-3)41-34(50)26(39)19-24-10-12-25(46)13-11-24/h5-13,22,26-31,46H,14-21,39H2,1-4H3,(H2,40,49)(H,41,50)(H,42,53)(H,43,51)(H,44,54)(H,45,52)(H,47,48)/t26-,27+,28-,29-,30-,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.25E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAGO binding to rat Opioid receptor mu 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009137
PNG
(3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C42H60N8O12S2/c1-23(2)18-31(40(60)46-29(15-17-64-4)38(58)47-30(36(44)56)21-34(52)53)48-42(62)33(22-35(54)55)50-41(61)32(20-24-8-6-5-7-9-24)49-39(59)28(14-16-63-3)45-37(57)27(43)19-25-10-12-26(51)13-11-25/h5-13,23,27-33,51H,14-22,43H2,1-4H3,(H2,44,56)(H,45,57)(H,46,60)(H,47,58)(H,48,62)(H,49,59)(H,50,61)(H,52,53)(H,54,55)/t27-,28+,29-,30-,31-,32-,33-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.06E+4n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in P2 membrane preparation of rat brain by [3H]DAGO displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001597
PNG
(CHEMBL134481 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C44H66N10O11S/c1-26(2)20-31(41(62)50-30(38(47)59)17-19-66-3)49-36(56)24-48-40(61)32(21-27-12-6-4-7-13-27)52-42(63)33(22-28-14-8-5-9-15-28)53-44(65)35(25-55)54-43(64)34(23-37(57)58)51-39(60)29(46)16-10-11-18-45/h4-9,12-15,26,29-35,55H,10-11,16-25,45-46H2,1-3H3,(H2,47,59)(H,48,61)(H,49,56)(H,50,62)(H,51,60)(H,52,63)(H,53,65)(H,54,64)(H,57,58)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 33n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001594
PNG
(CHEMBL335054 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C40H66N10O11S/c1-22(2)17-27(36(57)46-26(34(43)55)14-16-62-5)45-31(52)20-44-40(61)33(23(3)4)50-38(59)28(18-24-11-7-6-8-12-24)48-39(60)30(21-51)49-37(58)29(19-32(53)54)47-35(56)25(42)13-9-10-15-41/h6-8,11-12,22-23,25-30,33,51H,9-10,13-21,41-42H2,1-5H3,(H2,43,55)(H,44,61)(H,45,52)(H,46,57)(H,47,56)(H,48,60)(H,49,58)(H,50,59)(H,53,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001597
PNG
(CHEMBL134481 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C44H66N10O11S/c1-26(2)20-31(41(62)50-30(38(47)59)17-19-66-3)49-36(56)24-48-40(61)32(21-27-12-6-4-7-13-27)52-42(63)33(22-28-14-8-5-9-15-28)53-44(65)35(25-55)54-43(64)34(23-37(57)58)51-39(60)29(46)16-10-11-18-45/h4-9,12-15,26,29-35,55H,10-11,16-25,45-46H2,1-3H3,(H2,47,59)(H,48,61)(H,49,56)(H,50,62)(H,51,60)(H,52,63)(H,53,65)(H,54,64)(H,57,58)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 857n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
PDB

Reactome pathway
KEGG

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 Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 161n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50001594
PNG
(CHEMBL335054 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C40H66N10O11S/c1-22(2)17-27(36(57)46-26(34(43)55)14-16-62-5)45-31(52)20-44-40(61)33(23(3)4)50-38(59)28(18-24-11-7-6-8-12-24)48-39(60)30(21-51)49-37(58)29(19-32(53)54)47-35(56)25(42)13-9-10-15-41/h6-8,11-12,22-23,25-30,33,51H,9-10,13-21,41-42H2,1-5H3,(H2,43,55)(H,44,61)(H,45,52)(H,46,57)(H,47,56)(H,48,60)(H,49,58)(H,50,59)(H,53,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 870n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001597
PNG
(CHEMBL134481 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C44H66N10O11S/c1-26(2)20-31(41(62)50-30(38(47)59)17-19-66-3)49-36(56)24-48-40(61)32(21-27-12-6-4-7-13-27)52-42(63)33(22-28-14-8-5-9-15-28)53-44(65)35(25-55)54-43(64)34(23-37(57)58)51-39(60)29(46)16-10-11-18-45/h4-9,12-15,26,29-35,55H,10-11,16-25,45-46H2,1-3H3,(H2,47,59)(H,48,61)(H,49,56)(H,50,62)(H,51,60)(H,52,63)(H,53,65)(H,54,64)(H,57,58)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 45n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50001594
PNG
(CHEMBL335054 | N-(1-{1-[1-({[1-(1-Carbamoyl-3-meth...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C40H66N10O11S/c1-22(2)17-27(36(57)46-26(34(43)55)14-16-62-5)45-31(52)20-44-40(61)33(23(3)4)50-38(59)28(18-24-11-7-6-8-12-24)48-39(60)30(21-51)49-37(58)29(19-32(53)54)47-35(56)25(42)13-9-10-15-41/h6-8,11-12,22-23,25-30,33,51H,9-10,13-21,41-42H2,1-5H3,(H2,43,55)(H,44,61)(H,45,52)(H,46,57)(H,47,56)(H,48,60)(H,49,58)(H,50,59)(H,53,54)/t25-,26-,27-,28-,29-,30-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 61n/an/an/an/a



Glaxo Group Research

Curated by ChEMBL


Assay Description
In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 35: 4195-204 (1992)


Article DOI: 10.1021/jm00100a027
BindingDB Entry DOI: 10.7270/Q2NZ8883
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001451
PNG
(3-Amino-N-(1-{1-[1-({[1-(1-carbamoyl-3-methylsulfa...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C34H54N8O10S/c1-18(2)13-23(31(49)39-22(29(36)47)11-12-53-5)38-26(44)16-37-34(52)28(19(3)4)42-32(50)24(14-20-9-7-6-8-10-20)40-33(51)25(17-43)41-30(48)21(35)15-27(45)46/h6-10,18-19,21-25,28,43H,11-17,35H2,1-5H3,(H2,36,47)(H,37,52)(H,38,44)(H,39,49)(H,40,51)(H,41,48)(H,42,50)(H,45,46)/t21-,22-,23-,24-,25-,28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001440
PNG
(3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-3-methylsulf...)
Show SMILES CSCC[C@H](NC[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C34H56N8O9S/c1-19(2)13-22(16-37-24(30(36)47)11-12-52-5)39-27(44)17-38-34(51)29(20(3)4)42-32(49)25(14-21-9-7-6-8-10-21)40-33(50)26(18-43)41-31(48)23(35)15-28(45)46/h6-10,19-20,22-26,29,37,43H,11-18,35H2,1-5H3,(H2,36,47)(H,38,51)(H,39,44)(H,40,50)(H,41,48)(H,42,49)(H,45,46)/t22-,23-,24-,25-,26-,29-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu in guinea pig ileum (GPI)


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand...


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009186
PNG
(2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009187
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C40H58N8O10S2/c1-23(2)18-31(40(58)46-29(15-17-60-4)38(56)47-30(35(42)53)21-34(51)52)44-33(50)22-43-37(55)32(20-24-8-6-5-7-9-24)48-39(57)28(14-16-59-3)45-36(54)27(41)19-25-10-12-26(49)13-11-25/h5-13,23,27-32,49H,14-22,41H2,1-4H3,(H2,42,53)(H,43,55)(H,44,50)(H,45,54)(H,46,58)(H,47,56)(H,48,57)(H,51,52)/t27-,28-,29-,30-,31-,32-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand...


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50449782
PNG
(CHEMBL2370874)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C58H84N14O16S/c1-31(2)25-39(54(84)66-36(49(61)79)21-24-89-4)65-47(76)30-62-51(81)40(27-34-15-17-35(73)18-16-34)68-55(85)41(26-33-11-6-5-7-12-33)69-53(83)37(13-8-9-22-59)67-56(86)42(28-45(60)74)70-57(87)44-14-10-23-72(44)58(88)43(29-48(77)78)71-50(80)32(3)63-52(82)38-19-20-46(75)64-38/h5-7,11-12,15-18,31-32,36-44,73H,8-10,13-14,19-30,59H2,1-4H3,(H2,60,74)(H2,61,79)(H,62,81)(H,63,82)(H,64,75)(H,65,76)(H,66,84)(H,67,86)(H,68,85)(H,69,83)(H,70,87)(H,71,80)(H,77,78)/t32-,36+,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of tachykinin 1 (NK1) receptor in rat brain synaptosomal membranes using [125I]-BH-SP as radioligand


Bioorg Med Chem Lett 3: 447-450 (1993)


Article DOI: 10.1016/S0960-894X(01)80229-8
BindingDB Entry DOI: 10.7270/Q2R2119Z
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009190
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair