BDBM13216 BMS-354825::CHEMBL1421::DASATINIB::N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide::N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide::US10294227, Code Dasatinib::US20230348453, Compound A8::cid_3062316::med.21724, Compound Dasatinib

SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

InChI Key InChIKey=ZBNZXTGUTAYRHI-UHFFFAOYSA-N

Data  11 KI  187 IC50  891 Kd  5 EC50

PDB links: 21 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 13216   

TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Hunan University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  0.0160nMAssay Description:Binding affinity to Src (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...More data for this Ligand-Target Pair
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  73nMAssay Description:Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...More data for this Ligand-Target Pair
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  620nM ΔG°:  -8.46kcal/molepH: 7.4 T: 2°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  680nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  2.60E+3nM ΔG°:  -7.61kcal/molepH: 7.4 T: 2°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  2.70E+3nM ΔG°:  -7.59kcal/molepH: 7.4 T: 2°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  6.30E+3nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAngiotensin-converting enzyme(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  7.15E+5nMAssay Description:Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  1.00E+6nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargeteIF-2-alpha kinase GCN2(Homo sapiens (Human))
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM13216(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Affinity DataKi:  1.60E+6nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay