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BDBM50074505 CHEMBL172684::[9-(2-Bromo-4-isopropyl-phenyl)-2-methyl-9H-purin-6-yl]-(1-ethyl-pentyl)-amine

SMILES: CCCCC(CC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C

InChI Key: InChIKey=HSKXPCSIBAPTEP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074505   
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))
BDBM50074505
PNG
(CHEMBL172684 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCCC(CC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C22H30BrN5/c1-6-8-9-17(7-2)27-21-20-22(26-15(5)25-21)28(13-24-20)19-11-10-16(14(3)4)12-18(19)23/h10-14,17H,6-9H2,1-5H3,(H,25,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
5.10n/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