BDBM101727 US8530504, 93

SMILES: CCCN(CC1C2COCC12)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=PQNJSDAXWWLRJQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 101727   

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))	BDBM101727 (US8530504, 93) Show SMILES CCCN(CC1C2COCC12)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(-5.78,6.11,;-4.29,5.71,;-3.9,4.22,;-2.41,3.82,;-1.32,4.91,;.22,4.91,;1.55,4.14,;3.02,3.67,;3.92,4.91,;3.02,6.16,;1.55,5.68,;-2.01,2.33,;-2.91,1.09,;-4.45,1.09,;-5.22,-.24,;-2.01,-.16,;-.54,.32,;.92,-.16,;1.83,1.09,;.92,2.33,;-.54,1.86,;1.32,-1.64,;2.81,-2.04,;3.9,-.95,;5.38,-1.35,;3.2,-3.53,;2.12,-4.62,;2.51,-6.11,;1.43,-7.2,;-.06,-6.8,;.63,-4.22,;.23,-2.73,;-1.26,-2.33,;-2.35,-3.42,)| Show InChI InChI=1S/C25H33N3O5S/c1-6-7-27(10-16-17-12-33-13-18(16)17)23-24(32-5)26-28-19(14-34-25(23)28)22-20(30-3)8-15(11-29-2)9-21(22)31-4/h8-9,14,16-18H,6-7,10-13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45	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
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