BindingDB logo
myBDB logout

BDBM6098 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1-methyl-2-piperidinyl)methoxy]-3-quinolinecarbonitrile::4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1-methylpiperidin-2-yl)methoxy]quinoline-3-carbonitrile::4-phenylamino-3-quinolinecarbonitrile 9

SMILES: COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl

InChI Key: InChIKey=QSBWHISTPSABIV-UHFFFAOYSA-N

Data: 2 IC50

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 = 6098   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM6098
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-7-5-4-6-16(31)14-34-24-10-20-17(8-23(24)33-3)25(15(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,16H,4-7,14H2,1-3H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6098
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-7-5-4-6-16(31)14-34-24-10-20-17(8-23(24)33-3)25(15(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,16H,4-7,14H2,1-3H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


J Med Chem 48: 3891-902 (2005)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2T43R88
More data for this
Ligand-Target Pair