BDBM50398586 CHEMBL2177105::US8530504, 5

SMILES: COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1

InChI Key: InChIKey=STIRPLJDIDQVGJ-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 = 50398586   

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))	BDBM50398586 (CHEMBL2177105 | US8530504, 5) Show SMILES COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1 |(51.97,-36.57,;51.23,-35.23,;49.69,-35.2,;48.94,-33.85,;47.4,-33.83,;46.66,-32.48,;45.12,-32.46,;44.32,-33.78,;47.44,-31.16,;46.7,-29.82,;47.57,-28.56,;49.11,-28.52,;46.65,-27.33,;45.19,-27.84,;43.72,-27.39,;43.17,-25.95,;41.65,-25.7,;40.68,-26.89,;39.24,-27.44,;40.44,-28.41,;43.93,-24.61,;43.14,-23.29,;43.89,-21.95,;43.1,-20.62,;41.56,-20.64,;40.81,-21.99,;41.6,-23.31,;42.84,-28.66,;41.3,-28.69,;43.77,-29.88,;45.23,-29.37,;48.98,-31.19,;49.78,-29.87,;51.31,-29.89,;49.73,-32.54,)| Show InChI InChI=1S/C27H37N3O4S/c1-17-25(29(14-19-6-7-19)15-20-8-10-34-11-9-20)27-30(28-17)26(18(2)35-27)24-22(32-4)12-21(16-31-3)13-23(24)33-5/h12-13,19-20H,6-11,14-16H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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 proximity assay				J Med Chem 55: 8450-63 (2012) Article DOI: 10.1021/jm300864p BindingDB Entry DOI: 10.7270/Q2KD202P
					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50398586 (CHEMBL2177105 | US8530504, 5) Show SMILES COCc1cc(OC)c(-c2c(C)sc3c(N(CC4CC4)CC4CCOCC4)c(C)nn23)c(OC)c1 |(51.97,-36.57,;51.23,-35.23,;49.69,-35.2,;48.94,-33.85,;47.4,-33.83,;46.66,-32.48,;45.12,-32.46,;44.32,-33.78,;47.44,-31.16,;46.7,-29.82,;47.57,-28.56,;49.11,-28.52,;46.65,-27.33,;45.19,-27.84,;43.72,-27.39,;43.17,-25.95,;41.65,-25.7,;40.68,-26.89,;39.24,-27.44,;40.44,-28.41,;43.93,-24.61,;43.14,-23.29,;43.89,-21.95,;43.1,-20.62,;41.56,-20.64,;40.81,-21.99,;41.6,-23.31,;42.84,-28.66,;41.3,-28.69,;43.77,-29.88,;45.23,-29.37,;48.98,-31.19,;49.78,-29.87,;51.31,-29.89,;49.73,-32.54,)| Show InChI InChI=1S/C27H37N3O4S/c1-17-25(29(14-19-6-7-19)15-20-8-10-34-11-9-20)27-30(28-17)26(18(2)35-27)24-22(32-4)12-21(16-31-3)13-23(24)33-5/h12-13,19-20H,6-11,14-16H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Eisai R&D Management Co., Ltd. US Patent					Assay Description A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.				US Patent US8530504 (2013) BindingDB Entry DOI: 10.7270/Q29885NS
					More data for this Ligand-Target Pair