Found 2 hits Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50420926' 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)) | BDBM50420926
(CHEMBL2087573)Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(OC)nn12 |(2.88,-8.75,;2.88,-7.21,;1.54,-6.44,;1.54,-4.9,;2.87,-4.13,;2.87,-2.59,;4.2,-1.82,;5.54,-2.59,;1.54,-1.82,;.2,-2.59,;-1.13,-1.82,;-2.46,-2.59,;.21,-4.13,;1.53,-.28,;2.87,.49,;2.87,2.03,;1.53,2.8,;.2,2.03,;-1.27,2.5,;-1.74,3.97,;-.71,5.11,;.81,4.87,;2.24,5.43,;2,3.91,;-3.25,4.29,;-3.65,5.77,;-5.14,6.17,;-5.54,7.66,;-4.45,8.75,;-2.96,8.35,;-2.56,6.86,;-2.17,1.26,;-3.71,1.26,;-4.48,2.59,;-1.26,.01,;.2,.49,)| Show InChI InChI=1S/C28H37N3O5/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(35-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-36-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter |
J Med Chem 55: 5255-69 (2012)
Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC |
More data for this Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50420926
(CHEMBL2087573)Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(OC)nn12 |(2.88,-8.75,;2.88,-7.21,;1.54,-6.44,;1.54,-4.9,;2.87,-4.13,;2.87,-2.59,;4.2,-1.82,;5.54,-2.59,;1.54,-1.82,;.2,-2.59,;-1.13,-1.82,;-2.46,-2.59,;.21,-4.13,;1.53,-.28,;2.87,.49,;2.87,2.03,;1.53,2.8,;.2,2.03,;-1.27,2.5,;-1.74,3.97,;-.71,5.11,;.81,4.87,;2.24,5.43,;2,3.91,;-3.25,4.29,;-3.65,5.77,;-5.14,6.17,;-5.54,7.66,;-4.45,8.75,;-2.96,8.35,;-2.56,6.86,;-2.17,1.26,;-3.71,1.26,;-4.48,2.59,;-1.26,.01,;.2,.49,)| Show InChI InChI=1S/C28H37N3O5/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(35-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-36-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated cAMP accumulation after 30 mins by fluo... |
J Med Chem 55: 5255-69 (2012)
Article DOI: 10.1021/jm300259r BindingDB Entry DOI: 10.7270/Q29P32XC |
More data for this Ligand-Target Pair | |