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SMILES: COCCN(CCOC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)sc12

InChI Key: InChIKey=AWOSLARSDHOWLE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076902   
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))		BDBM50076902
PNG
(7-[Bis-(2-methoxy-ethyl)-amino]-5-methyl-3-(2,4,6-...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=O)sc12 |(18.84,-10.28,;17.3,-10.28,;15.96,-11.05,;15.96,-12.59,;14.63,-13.38,;13.29,-12.61,;13.29,-11.07,;12.51,-9.75,;10.97,-9.73,;14.64,-14.92,;13.31,-15.69,;13.31,-17.23,;11.97,-18,;14.64,-18,;15.99,-17.23,;17.45,-17.69,;17.93,-19.15,;19.44,-19.45,;20.45,-18.3,;19.92,-20.9,;18.9,-22.07,;19.39,-23.53,;17.39,-21.76,;16.91,-20.29,;15.4,-19.97,;18.36,-16.44,;19.9,-16.44,;17.43,-15.19,;15.98,-15.69,)|
Show InChI InChI=1S/C21H28N4O3S/c1-13-11-14(2)17(15(3)12-13)25-20-18(29-21(25)26)19(22-16(4)23-20)24(7-9-27-5)8-10-28-6/h11-12H,7-10H2,1-6H3
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MMDB

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PubMed
 5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human Corticotropin releasing factor receptor 1 expressed in HEK 293E cells using [125I]-TYR-oCRH

Bioorg Med Chem Lett 9: 1185-8 (1999)


BindingDB Entry DOI: 10.7270/Q24M93Q4
More data for this
Ligand-Target Pair