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SMILES: COCCN(CCOC)c1nc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C

InChI Key: InChIKey=HBPNUOLAWVLTMP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074464   
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))		BDBM50074464
PNG
(CHEMBL168476 | [9-(2-Bromo-4-isopropyl-phenyl)-2,8...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C |(13.93,1.76,;13.93,.21,;12.61,-.56,;12.61,-2.1,;11.28,-2.86,;9.94,-2.1,;8.62,-2.86,;7.29,-2.1,;5.95,-2.86,;11.28,-4.4,;9.94,-5.16,;9.94,-6.69,;8.61,-7.48,;11.28,-7.46,;12.61,-6.69,;14.05,-7.16,;14.96,-5.93,;16.49,-5.94,;14.05,-4.69,;12.61,-5.16,;14.68,-8.57,;13.77,-9.8,;14.4,-11.21,;15.93,-11.38,;16.84,-10.13,;16.21,-8.73,;17.12,-7.48,;16.55,-12.79,;18.07,-12.96,;15.63,-14.03,)|
Show InChI InChI=1S/C22H30BrN5O2/c1-14(2)17-7-8-19(18(23)13-17)28-16(4)26-20-21(24-15(3)25-22(20)28)27(9-11-29-5)10-12-30-6/h7-8,13-14H,9-12H2,1-6H3
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Article
PubMed
 6.70n/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