Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50100464' 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
(Rattus norvegicus (rat)) | BDBM50100464
(7`-guanidino-17-(cyclopropylmethyl)-6,7-didehydro-...)Show SMILES NC(N)=Nc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |wU:11.11,wD:26.39,22.21,THB:20:34:11:29.27.28,16:15:11:29.27.28,(17.3,-18.58,;16.66,-19.98,;17.55,-21.24,;15.13,-20.12,;14.24,-18.86,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-17-3-1-2-15-16-11-27(34)19-10-14-6-7-18(33)23-20(14)26(27,8-9-32(19)12-13-4-5-13)24(35-23)22(16)31-21(15)17/h1-3,6-7,13,19,24,31,33-34H,4-5,8-12H2,(H4,28,29,30)/t19?,24-,26-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| PubMed
| 32.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Effect on binding to wild-type opioid receptor kappa 1 using [3H]diprenorphine in transiently expressed rat HEK293 cells |
J Med Chem 44: 2073-9 (2001)
BindingDB Entry DOI: 10.7270/Q2416XRH |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50100464
(7`-guanidino-17-(cyclopropylmethyl)-6,7-didehydro-...)Show SMILES NC(N)=Nc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |wU:11.11,wD:26.39,22.21,THB:20:34:11:29.27.28,16:15:11:29.27.28,(17.3,-18.58,;16.66,-19.98,;17.55,-21.24,;15.13,-20.12,;14.24,-18.86,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-17-3-1-2-15-16-11-27(34)19-10-14-6-7-18(33)23-20(14)26(27,8-9-32(19)12-13-4-5-13)24(35-23)22(16)31-21(15)17/h1-3,6-7,13,19,24,31,33-34H,4-5,8-12H2,(H4,28,29,30)/t19?,24-,26-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 47.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Effect on binding to kappa(Glu297Ala) opioid receptor, using [3H]diprenorphine in transiently expressed rat HEK293 cells |
J Med Chem 44: 2073-9 (2001)
BindingDB Entry DOI: 10.7270/Q2416XRH |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50100464
(7`-guanidino-17-(cyclopropylmethyl)-6,7-didehydro-...)Show SMILES NC(N)=Nc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |wU:11.11,wD:26.39,22.21,THB:20:34:11:29.27.28,16:15:11:29.27.28,(17.3,-18.58,;16.66,-19.98,;17.55,-21.24,;15.13,-20.12,;14.24,-18.86,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-17-3-1-2-15-16-11-27(34)19-10-14-6-7-18(33)23-20(14)26(27,8-9-32(19)12-13-4-5-13)24(35-23)22(16)31-21(15)17/h1-3,6-7,13,19,24,31,33-34H,4-5,8-12H2,(H4,28,29,30)/t19?,24-,26-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 69.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Binding affinity towards rat opioid receptor kappa 1 was determined using [3H]diprenorphine radioligand |
J Med Chem 44: 2073-9 (2001)
BindingDB Entry DOI: 10.7270/Q2416XRH |
More data for this
Ligand-Target Pair | |
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