BDBM50398575 CHEMBL2179186

SMILES: CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=IFYKMCAPVKAGQX-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398575   

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))	BDBM50398575 (CHEMBL2179186) Show SMILES CCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(17.83,-21.66,;19.37,-21.66,;20.13,-20.32,;21.67,-20.32,;22.39,-18.95,;23.94,-18.91,;24.66,-17.55,;23.84,-16.24,;22.3,-16.29,;21.57,-17.66,;22.22,-21.76,;21.34,-23.03,;19.8,-23.06,;19.06,-24.41,;22.27,-24.25,;23.73,-23.74,;25.2,-24.19,;26.08,-22.92,;25.15,-21.7,;23.69,-22.21,;25.95,-25.53,;25.16,-26.85,;23.62,-26.83,;22.82,-28.15,;25.9,-28.2,;27.44,-28.23,;28.19,-29.58,;29.73,-29.6,;30.48,-30.95,;28.24,-26.91,;27.49,-25.56,;28.28,-24.24,;29.82,-24.26,)| Show InChI InChI=1S/C24H33N3O5S/c1-6-9-26(17-7-10-32-11-8-17)22-23(31-5)25-27-18(15-33-24(22)27)21-19(29-3)12-16(14-28-2)13-20(21)30-4/h12-13,15,17H,6-11,14H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	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
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