BDBM50420928 CHEMBL2087575

SMILES: COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(C)nn12

InChI Key: InChIKey=PPSFAYXLBKTJPN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50420928   

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))	BDBM50420928 (CHEMBL2087575) Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(C)nn12 |(2.97,-8.96,;2.99,-7.42,;1.67,-6.63,;1.7,-5.09,;3.04,-4.34,;3.06,-2.79,;4.4,-2.05,;5.73,-2.84,;1.74,-2.01,;.39,-2.76,;-.93,-1.97,;-2.28,-2.72,;.37,-4.3,;1.76,-.47,;3.1,.28,;3.13,1.82,;1.8,2.61,;.46,1.86,;-1,2.36,;-1.45,3.83,;-2.93,4.25,;-4.04,3.18,;-5.53,2.8,;-4.46,1.7,;-.41,4.96,;-.86,6.43,;.19,7.56,;-.27,9.03,;-1.77,9.37,;-2.82,8.24,;-2.36,6.77,;-1.92,1.12,;-3.46,1.15,;-1.03,-.13,;.44,.32,)| Show InChI InChI=1S/C28H37N3O4/c1-19-28(30(16-20-8-9-20)17-21-10-12-35-13-11-21)24-7-5-6-23(31(24)29-19)27-25(33-3)14-22(18-32-2)15-26(27)34-4/h5-7,14-15,20-21H,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	50	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))	BDBM50420928 (CHEMBL2087575) Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(C)nn12 |(2.97,-8.96,;2.99,-7.42,;1.67,-6.63,;1.7,-5.09,;3.04,-4.34,;3.06,-2.79,;4.4,-2.05,;5.73,-2.84,;1.74,-2.01,;.39,-2.76,;-.93,-1.97,;-2.28,-2.72,;.37,-4.3,;1.76,-.47,;3.1,.28,;3.13,1.82,;1.8,2.61,;.46,1.86,;-1,2.36,;-1.45,3.83,;-2.93,4.25,;-4.04,3.18,;-5.53,2.8,;-4.46,1.7,;-.41,4.96,;-.86,6.43,;.19,7.56,;-.27,9.03,;-1.77,9.37,;-2.82,8.24,;-2.36,6.77,;-1.92,1.12,;-3.46,1.15,;-1.03,-.13,;.44,.32,)| Show InChI InChI=1S/C28H37N3O4/c1-19-28(30(16-20-8-9-20)17-21-10-12-35-13-11-21)24-7-5-6-23(31(24)29-19)27-25(33-3)14-22(18-32-2)15-26(27)34-4/h5-7,14-15,20-21H,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	120	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