BindingDB logo
myBDB logout

null

SMILES: CCCCNc1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C

InChI Key: InChIKey=LMJQHDOSKSGDCE-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 = 50058167   
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


(Rattus norvegicus (rat))		BDBM50058167
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCNc1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-1.47,2.21,;.02,2.6,;1.1,1.51,;2.59,1.9,;3.69,.81,;3.7,-.73,;2.38,-1.51,;2.38,-3.05,;1.03,-3.82,;3.7,-3.82,;5.04,-3.05,;6.51,-3.53,;7.42,-2.27,;6.51,-1.02,;6.97,.43,;5.04,-1.5,;6.99,-4.99,;8.48,-5.3,;9.5,-4.15,;8.95,-6.76,;7.93,-7.91,;8.41,-9.37,;6.43,-7.58,;5.95,-6.13,;4.43,-5.81,)|
Show InChI InChI=1S/C21H28N4/c1-7-8-9-22-20-18-16(5)12-25(21(18)24-17(6)23-20)19-14(3)10-13(2)11-15(19)4/h10-12H,7-9H2,1-6H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of binding of 70 pM [125I]-Try0-o-Corticotropin-releasing Factor (CFR) to Corticotropin releasing hormone receptor 1 in Rat brain membrane

J Med Chem 40: 1749-54 (1997)


Article DOI: 10.1021/jm960861b
BindingDB Entry DOI: 10.7270/Q2SJ1JQP
More data for this
Ligand-Target Pair