BDBM50389532 CHEMBL2063375

SMILES: CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=CAPIEHRVAQKUPJ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50389532   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50389532 (CHEMBL2063375) Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)| Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3	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-induced intracellular cAMP production preincubated...				Bioorg Med Chem 20: 6559-78 (2012) Article DOI: 10.1016/j.bmc.2012.09.028 BindingDB Entry DOI: 10.7270/Q2B56KVZ
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50389532 (CHEMBL2063375) Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)| Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3	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 intracellular cAMP accumulation after 3...				Bioorg Med Chem Lett 22: 5372-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.047 BindingDB Entry DOI: 10.7270/Q2736S12
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50389532 (CHEMBL2063375) Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)| Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	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				Bioorg Med Chem Lett 22: 5372-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.047 BindingDB Entry DOI: 10.7270/Q2736S12
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50389532 (CHEMBL2063375) Show SMILES CCN(CCOC)c1ccc(C)c2nc(c(C)cc12)-c1c(OC)cc(COC)cc1OC |(47.84,-10.28,;49.18,-11.04,;49.18,-12.58,;50.52,-13.35,;50.52,-14.89,;51.86,-15.65,;51.87,-17.19,;47.85,-13.36,;46.52,-12.59,;45.19,-13.36,;45.18,-14.91,;43.85,-15.68,;46.52,-15.67,;46.51,-17.21,;47.85,-17.99,;49.19,-17.21,;50.52,-17.98,;49.19,-15.67,;47.86,-14.91,;47.85,-19.52,;46.51,-20.29,;45.18,-19.52,;43.85,-20.29,;46.51,-21.83,;47.85,-22.6,;47.85,-24.14,;46.52,-24.91,;45.18,-24.14,;49.19,-21.82,;49.18,-20.29,;50.51,-19.51,;51.85,-20.28,)| Show InChI InChI=1S/C26H34N2O4/c1-8-28(11-12-29-4)21-10-9-17(2)25-20(21)13-18(3)26(27-25)24-22(31-6)14-19(16-30-5)15-23(24)32-7/h9-10,13-15H,8,11-12,16H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	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 scintillation counting				Bioorg Med Chem 20: 6559-78 (2012) Article DOI: 10.1016/j.bmc.2012.09.028 BindingDB Entry DOI: 10.7270/Q2B56KVZ
					More data for this Ligand-Target Pair