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BDBM185858 US9163007, 198

SMILES: O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1

InChI Key: InChIKey=RPRQMNZKOSABFQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 185858   
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))
BDBM185858
PNG
(US9163007, 198)
Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.800n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 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 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM185858
PNG
(US9163007, 198)
Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.900n/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