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BDBM50169540 CHEMBL186479::Cyclopropylmethyl-(2,2,2-trifluoro-ethyl)-[2-trifluoromethyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazol-3-ylmethyl]-amine

SMILES: Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F

InChI Key: InChIKey=BGAPMYXOHYNMGP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50169540   
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))
BDBM50169540
PNG
(CHEMBL186479 | Cyclopropylmethyl-(2,2,2-trifluoro-...)
Show SMILES Cc1cc(C)c(c(C)c1)-n1c2ccccc2n2c(CN(CC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(8.33,-9.37,;7.25,-8.27,;5.76,-8.66,;4.67,-7.56,;3.19,-7.93,;5.09,-6.08,;6.58,-5.7,;6.98,-4.2,;7.65,-6.78,;4.02,-5,;4.27,-3.47,;5.57,-2.64,;5.5,-1.1,;4.13,-.4,;2.83,-1.22,;2.9,-2.76,;1.8,-3.83,;.26,-4.06,;-.81,-2.97,;-.4,-1.48,;1.08,-1.1,;1.49,.39,;2.59,1.46,;1.1,1.86,;-1.48,-.38,;-1.07,1.11,;-.69,2.46,;.4,1.76,;-2,2.42,;.01,-5.59,;1.38,-6.3,;2.49,-5.22,;-1.37,-6.28,;-2.84,-5.62,;-1.72,-7.84,;-2.63,-6.91,)|
Show InChI InChI=1S/C26H26F6N4/c1-15-10-16(2)22(17(3)11-15)36-20-7-5-4-6-19(20)35-21(23(26(30,31)32)33-24(35)36)13-34(12-18-8-9-18)14-25(27,28)29/h4-7,10-11,18H,8-9,12-14H2,1-3H3
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MMDB

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Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for human corticotropin releasing factor receptor 1


Bioorg Med Chem Lett 15: 4029-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.028
BindingDB Entry DOI: 10.7270/Q2B27TS9
More data for this
Ligand-Target Pair