BindingDB logo
myBDB logout

BDBM101678 US8530504, 40

SMILES: CCOCc1cc(OC)c(-c2csc3c(N(CCOC)CC4CC4)c(OC)nn23)c(OC)c1

InChI Key: InChIKey=YQBVJKCCGYMMEH-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 = 101678   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))		BDBM101678
PNG
(US8530504, 40)
Show SMILES CCOCc1cc(OC)c(-c2csc3c(N(CCOC)CC4CC4)c(OC)nn23)c(OC)c1 |(1.28,-7.69,;2.37,-6.6,;1.97,-5.11,;3.06,-4.02,;2.66,-2.53,;3.75,-1.45,;3.35,.04,;4.44,1.13,;5.93,.73,;1.86,.44,;1.46,1.93,;2.37,3.17,;1.46,4.42,;,3.94,;-1.46,4.42,;-1.86,5.91,;-.77,7,;.71,6.6,;1.8,7.69,;3.29,7.29,;-3.35,6.31,;-4.44,5.22,;-5.93,4.82,;-4.84,3.73,;-2.37,3.17,;-3.91,3.17,;-4.68,1.84,;-1.46,1.93,;,2.4,;.77,-.65,;-.71,-.25,;-1.8,-1.34,;1.17,-2.14,)|
Show InChI InChI=1S/C24H33N3O5S/c1-6-32-14-17-11-19(29-3)21(20(12-17)30-4)18-15-33-24-22(23(31-5)25-27(18)24)26(9-10-28-2)13-16-7-8-16/h11-12,15-16H,6-10,13-14H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 32n/an/an/an/an/an/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