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SMILES: CCCCN(CC)c1nc(C)nc2n(cnc12)-c1c(Cl)cc(OC)cc1OC

InChI Key: InChIKey=ONURHJKRLLGMBV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074512   
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))		BDBM50074512
PNG
(Butyl-[9-(2-chloro-4,6-dimethoxy-phenyl)-2-methyl-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cnc12)-c1c(Cl)cc(OC)cc1OC |(15.41,-2.57,;14.07,-1.8,;12.72,-2.57,;11.39,-1.8,;10.06,-2.57,;8.73,-1.8,;8.73,-.24,;10.06,-4.11,;8.73,-4.88,;8.73,-6.42,;7.38,-7.19,;10.06,-7.19,;11.39,-6.42,;12.86,-6.89,;13.75,-5.63,;12.86,-4.39,;11.39,-4.88,;13.18,-8.38,;14.64,-8.87,;15.78,-7.82,;14.96,-10.37,;13.84,-11.39,;14.17,-12.91,;13.04,-13.96,;12.37,-10.93,;12.04,-9.43,;10.57,-8.96,;9.43,-9.99,)|
Show InChI InChI=1S/C20H26ClN5O2/c1-6-8-9-25(7-2)19-17-20(24-13(3)23-19)26(12-22-17)18-15(21)10-14(27-4)11-16(18)28-5/h10-12H,6-9H2,1-5H3
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Article
PubMed
 5.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells

J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair