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SMILES: CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nnc(C)o1

InChI Key: InChIKey=HRJYCFFNXMXFKB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50417507   
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))		BDBM50417507
PNG
(CHEMBL1287996)
Show SMILES CCC(Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C)c1nnc(C)o1 |(13.26,-29.56,;14.57,-30.33,;14.57,-31.87,;15.9,-32.65,;15.88,-34.19,;14.52,-34.95,;14.51,-36.49,;13.17,-37.25,;15.84,-37.27,;17.18,-36.52,;18.64,-37.01,;19.56,-35.78,;21.1,-35.8,;18.67,-34.52,;17.2,-34.98,;19.41,-38.34,;18.64,-39.68,;19.4,-41,;20.94,-41.01,;21.71,-42.34,;23.26,-42.35,;21.72,-39.69,;20.95,-38.34,;21.72,-37.01,;13.33,-32.79,;13.35,-34.33,;11.88,-34.8,;10.97,-33.56,;9.43,-33.57,;11.86,-32.32,)|
Show InChI InChI=1S/C22H26N6O2/c1-7-18(22-26-25-15(5)30-22)24-19-11-13(3)23-21-20(14(4)27-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,24H,7H2,1-6H3
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MMDB

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Article
PubMed
 100n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRF1 receptor

Bioorg Med Chem Lett 20: 7259-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.095
BindingDB Entry DOI: 10.7270/Q2736S5V
More data for this
Ligand-Target Pair