Found 2 hits Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50417503' 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 |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50417503
(GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT)Show SMILES CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wD:2.2,(20.63,-20.94,;21.95,-21.72,;21.94,-23.26,;23.27,-24.04,;23.25,-25.58,;21.89,-26.34,;21.88,-27.88,;20.54,-28.64,;23.21,-28.66,;24.55,-27.91,;26,-28.4,;26.93,-27.17,;28.47,-27.19,;26.03,-25.91,;24.57,-26.37,;26.72,-29.77,;25.89,-31.07,;26.59,-32.42,;28.13,-32.5,;28.83,-33.87,;30.37,-33.94,;28.96,-31.21,;28.25,-29.84,;29.08,-28.54,;20.69,-24.16,;19.23,-23.68,;18.32,-24.9,;16.78,-24.89,;19.22,-26.16,;20.69,-25.7,)| Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CRF1 receptor |
Bioorg Med Chem Lett 20: 7259-64 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50417503
(GSK-561679 | GSK561679A | NBI-77860 | VERUCERFONT)Show SMILES CC[C@H](Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nc(C)no1 |r,wD:2.2,(20.63,-20.94,;21.95,-21.72,;21.94,-23.26,;23.27,-24.04,;23.25,-25.58,;21.89,-26.34,;21.88,-27.88,;20.54,-28.64,;23.21,-28.66,;24.55,-27.91,;26,-28.4,;26.93,-27.17,;28.47,-27.19,;26.03,-25.91,;24.57,-26.37,;26.72,-29.77,;25.89,-31.07,;26.59,-32.42,;28.13,-32.5,;28.83,-33.87,;30.37,-33.94,;28.96,-31.21,;28.25,-29.84,;29.08,-28.54,;20.69,-24.16,;19.23,-23.68,;18.32,-24.9,;16.78,-24.89,;19.22,-26.16,;20.69,-25.7,)| Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant CRF1 receptor |
Bioorg Med Chem Lett 20: 7259-64 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.095 BindingDB Entry DOI: 10.7270/Q2736S5V |
More data for this Ligand-Target Pair | |