Found 3 hits Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50420920' 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)) | BDBM50420920
(CHEMBL2087549 | CHEMBL2087567)Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)| Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | 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 IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulation |
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)) | BDBM50420920
(CHEMBL2087549 | CHEMBL2087567)Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)| Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | 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 | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50420920
(CHEMBL2087549 | CHEMBL2087567)Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(COC)cc1OC |(-4.48,2.67,;-3.74,1.32,;-2.2,1.29,;-1.32,.02,;.16,.47,;1.48,-.33,;2.82,.42,;2.86,1.96,;1.54,2.75,;.19,2.01,;-1.27,2.51,;-1.71,3.99,;-.66,5.11,;.86,4.84,;2.3,5.36,;2.03,3.85,;-3.21,4.34,;-3.58,5.83,;-5.06,6.26,;-5.43,7.76,;-4.32,8.82,;-2.84,8.39,;-2.47,6.9,;1.44,-1.87,;2.76,-2.66,;4.11,-1.92,;5.43,-2.72,;2.73,-4.2,;1.38,-4.95,;1.35,-6.49,;2.67,-7.28,;2.64,-8.82,;.07,-4.15,;.1,-2.61,;-1.22,-1.81,;-2.57,-2.56,)| Show InChI InChI=1S/C29H39N3O4/c1-5-23-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)25-8-6-7-24(32(25)30-23)28-26(34-3)15-22(19-33-2)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | 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 | |