Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50133052' 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)) | BDBM50133052
(CHEMBL430081 | Opioid Peptide [d-Ala(8)]Dynorphin ...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)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)31-46(82-55(92)44(25-22-37-13-5-4-6-14-37)77-49(86)34-74-48(85)33-75-52(89)40(63)32-38-20-23-39(84)24-21-38)56(93)80-43(17-10-28-72-60(67)68)54(91)79-42(16-9-27-71-59(65)66)53(90)76-36(3)51(88)81-45(18-11-29-73-61(69)70)58(95)83-30-12-19-47(83)57(94)78-41(50(64)87)15-7-8-26-62/h4-6,13-14,20-21,23-24,35-36,40-47,84H,7-12,15-19,22,25-34,62-63H2,1-3H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,86)(H,78,94)(H,79,91)(H,80,93)(H,81,88)(H,82,92)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.73 | 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)) | BDBM50133052
(CHEMBL430081 | Opioid Peptide [d-Ala(8)]Dynorphin ...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)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)31-46(82-55(92)44(25-22-37-13-5-4-6-14-37)77-49(86)34-74-48(85)33-75-52(89)40(63)32-38-20-23-39(84)24-21-38)56(93)80-43(17-10-28-72-60(67)68)54(91)79-42(16-9-27-71-59(65)66)53(90)76-36(3)51(88)81-45(18-11-29-73-61(69)70)58(95)83-30-12-19-47(83)57(94)78-41(50(64)87)15-7-8-26-62/h4-6,13-14,20-21,23-24,35-36,40-47,84H,7-12,15-19,22,25-34,62-63H2,1-3H3,(H2,64,87)(H,74,85)(H,75,89)(H,76,90)(H,77,86)(H,78,94)(H,79,91)(H,80,93)(H,81,88)(H,82,92)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36-,40+,41+,42+,43+,44+,45+,46+,47+/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 | 46.9 | 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 | |