BDBM50420921 CHEMBL2087568

SMILES: CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(COC)cc(OC)cc1OC

InChI Key: InChIKey=QCMYGQPUQVYPFU-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 = 50420921   

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))	BDBM50420921 (CHEMBL2087568) Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(COC)cc(OC)cc1OC |(-5.15,1.89,;-4.41,.54,;-2.87,.51,;-1.99,-.75,;-.51,-.3,;.8,-1.1,;2.15,-.35,;2.18,1.19,;.86,1.98,;-.49,1.24,;-1.94,1.74,;-2.39,3.22,;-1.34,4.34,;.18,4.07,;1.63,4.6,;1.36,3.08,;-3.89,3.57,;-4.26,5.06,;-5.74,5.49,;-6.11,6.98,;-5,8.05,;-3.52,7.62,;-3.15,6.13,;.77,-2.64,;2.09,-3.43,;3.44,-2.69,;4.76,-3.48,;6.11,-2.74,;2.06,-4.97,;.72,-5.71,;.69,-7.25,;2.01,-8.05,;-.6,-4.92,;-.57,-3.38,;-1.89,-2.58,;-3.24,-3.33,)| Show InChI InChI=1S/C29H39N3O4/c1-5-24-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)26-8-6-7-25(32(26)30-24)28-22(19-33-2)15-23(34-3)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3	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