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BDBM50076613 CHEMBL367253::[9-(2-Bromo-4-isopropyl-phenyl)-8-methoxy-2-methyl-9H-purin-6-yl]-butyl-ethyl-amine

SMILES: CCCCN(CC)c1nc(C)nc2n(c(OC)nc12)-c1ccc(cc1Br)C(C)C

InChI Key: InChIKey=GJKNIAQOFDDUTO-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076613   
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))
BDBM50076613
PNG
(CHEMBL367253 | [9-(2-Bromo-4-isopropyl-phenyl)-8-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(OC)nc12)-c1ccc(cc1Br)C(C)C |(5.24,-4.86,;5.24,-6.4,;6.57,-7.17,;6.59,-8.71,;7.92,-9.48,;9.28,-8.71,;9.25,-7.17,;7.95,-11.02,;6.61,-11.79,;6.61,-13.33,;5.26,-14.1,;7.95,-14.1,;9.28,-13.33,;10.75,-13.8,;11.66,-12.54,;13.2,-12.54,;13.74,-13.32,;10.75,-11.3,;9.28,-11.79,;11.24,-15.24,;10.21,-16.39,;10.7,-17.86,;12.21,-18.16,;13.24,-17.02,;12.75,-15.55,;13.83,-14.45,;12.7,-19.63,;11.67,-20.78,;14.2,-19.94,)|
Show InChI InChI=1S/C22H30BrN5O/c1-7-9-12-27(8-2)20-19-21(25-15(5)24-20)28(22(26-19)29-6)18-11-10-16(14(3)4)13-17(18)23/h10-11,13-14H,7-9,12H2,1-6H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair