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BDBM50311940 CHEMBL1080475::N-(3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-tert-butylisonicotinamide

SMILES: Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

InChI Key: InChIKey=SHMSECDXWNWTEF-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50311940   
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 Lck


(Homo sapiens (Human))
BDBM50311940
PNG
(CHEMBL1080475 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C28H28N8O/c1-17-9-10-18(33-26(37)19-11-12-30-15-20(19)28(2,3)4)13-22(17)35-27-34-21-7-5-6-8-23(21)36(27)25-14-24(29)31-16-32-25/h5-16H,1-4H3,(H,33,37)(H,34,35)(H2,29,31,32)
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n/an/a 10n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50311940
PNG
(CHEMBL1080475 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C28H28N8O/c1-17-9-10-18(33-26(37)19-11-12-30-15-20(19)28(2,3)4)13-22(17)35-27-34-21-7-5-6-8-23(21)36(27)25-14-24(29)31-16-32-25/h5-16H,1-4H3,(H,33,37)(H,34,35)(H2,29,31,32)
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n/an/a 46n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of HCK


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311940
PNG
(CHEMBL1080475 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C28H28N8O/c1-17-9-10-18(33-26(37)19-11-12-30-15-20(19)28(2,3)4)13-22(17)35-27-34-21-7-5-6-8-23(21)36(27)25-14-24(29)31-16-32-25/h5-16H,1-4H3,(H,33,37)(H,34,35)(H2,29,31,32)
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n/an/a 56n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused SRC expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50311940
PNG
(CHEMBL1080475 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C28H28N8O/c1-17-9-10-18(33-26(37)19-11-12-30-15-20(19)28(2,3)4)13-22(17)35-27-34-21-7-5-6-8-23(21)36(27)25-14-24(29)31-16-32-25/h5-16H,1-4H3,(H,33,37)(H,34,35)(H2,29,31,32)
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n/an/a 7n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused LYN expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50311940
PNG
(CHEMBL1080475 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C28H28N8O/c1-17-9-10-18(33-26(37)19-11-12-30-15-20(19)28(2,3)4)13-22(17)35-27-34-21-7-5-6-8-23(21)36(27)25-14-24(29)31-16-32-25/h5-16H,1-4H3,(H,33,37)(H,34,35)(H2,29,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused LCK expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair