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BDBM185849 US9163007, 163

SMILES: Cc1ccccc1-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1

InChI Key: InChIKey=GJOXRIYWDHESDF-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 185849   
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
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185849
PNG
(US9163007, 163)
Show SMILES Cc1ccccc1-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 |(11.93,-1.26,;10.78,-.23,;11.1,1.27,;9.96,2.3,;8.49,1.83,;8.17,.32,;9.32,-.71,;9,-2.22,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;14,-4.28,;14.9,-5.53,;14.28,-6.94,;12.74,-7.1,;11.84,-5.85,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;3.59,-2.07,;4.92,-2.84,)|
Show InChI InChI=1S/C23H20N6/c1-15-7-5-6-10-18(15)22-21(17-11-12-20-19(13-17)23(24)27-25-20)26-28-29(22)14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H3,24,25,27)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
3.40n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair