Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133055' 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)) | BDBM50133055
(CHEMBL441198 | Opioid Peptide [d-Ala(8)]Dynorphin ...)Show SMILES CC(C)C[C@H](NC(=O)[C@@](C)(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)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/C61H100N22O12/c1-35(2)30-45(81-57(95)61(4,32-38-14-6-5-7-15-38)82-48(86)34-74-47(85)33-75-51(89)40(63)31-37-21-23-39(84)24-22-37)54(92)79-43(18-11-27-72-59(67)68)53(91)78-42(17-10-26-71-58(65)66)52(90)76-36(3)50(88)80-44(19-12-28-73-60(69)70)56(94)83-29-13-20-46(83)55(93)77-41(49(64)87)16-8-9-25-62/h5-7,14-15,21-24,35-36,40-46,84H,8-13,16-20,25-34,62-63H2,1-4H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,95)(H,82,86)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,61-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.20 | 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 rat Opioid receptor kappa 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-dipren... |
J Med Chem 46: 4002-8 (2003)
Article DOI: 10.1021/jm030075o BindingDB Entry DOI: 10.7270/Q2CN739H |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133055
(CHEMBL441198 | Opioid Peptide [d-Ala(8)]Dynorphin ...)Show SMILES CC(C)C[C@H](NC(=O)[C@@](C)(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)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/C61H100N22O12/c1-35(2)30-45(81-57(95)61(4,32-38-14-6-5-7-15-38)82-48(86)34-74-47(85)33-75-51(89)40(63)31-37-21-23-39(84)24-22-37)54(92)79-43(18-11-27-72-59(67)68)53(91)78-42(17-10-26-71-58(65)66)52(90)76-36(3)50(88)80-44(19-12-28-73-60(69)70)56(94)83-29-13-20-46(83)55(93)77-41(49(64)87)16-8-9-25-62/h5-7,14-15,21-24,35-36,40-46,84H,8-13,16-20,25-34,62-63H2,1-4H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,92)(H,80,88)(H,81,95)(H,82,86)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,61-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 36.5 | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Inhibition of Forskolin-Stimulated Adenylyl Cyclase in CHO cells expressing Opioid receptor kappa 1 |
J Med Chem 46: 4002-8 (2003)
Article DOI: 10.1021/jm030075o BindingDB Entry DOI: 10.7270/Q2CN739H |
More data for this Ligand-Target Pair | |