BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=KYFCOMIYHKLMQT-UHFFFAOYSA-N

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 = 101663   
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))		BDBM101663
PNG
(US8530504, 24)
Show SMILES CCCN(CCC)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC)cc1OC |(1.46,6.15,;.37,5.06,;-1.12,5.46,;-2.21,4.37,;-3.7,4.77,;-4.09,6.25,;-5.58,6.65,;-1.81,2.88,;-2.72,1.63,;-4.26,1.63,;-5.03,.3,;-1.81,.39,;-.35,.86,;1.12,.39,;2.02,1.63,;1.12,2.88,;-.35,2.4,;1.52,-1.1,;3.01,-1.5,;4.09,-.41,;5.58,-.81,;3.4,-2.99,;2.32,-4.08,;2.71,-5.56,;1.62,-6.65,;.14,-6.25,;.83,-3.68,;.43,-2.19,;-1.06,-1.79,;-2.15,-2.88,)|
Show InChI InChI=1S/C22H31N3O4S/c1-7-9-24(10-8-2)20-21(29-6)23-25-16(14-30-22(20)25)19-17(27-4)11-15(13-26-3)12-18(19)28-5/h11-12,14H,7-10,13H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 26n/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