BindingDB PrimarySearch

BDBM50290422 4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide::4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE::CHEMBL56904

SMILES: CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1

InChI Key: InChIKey=JHMBUEWQJDGKGS-UHFFFAOYSA-N

Data: 1 KI 6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50290422
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50290422 (4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rigel, Inc. Curated by ChEMBL					Assay Description Inhibition of SYK				J Med Chem 55: 3614-43 (2012) Article DOI: 10.1021/jm201271b BindingDB Entry DOI: 10.7270/Q2NZ88RC
Rigel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50290422 (4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the epidermal growth factor receptor.				Bioorg Med Chem Lett 7: 187-192 (1997) Article DOI: 10.1016/S0960-894X(96)00601-4 BindingDB Entry DOI: 10.7270/Q23X86MF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50290422 (4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase.				Bioorg Med Chem Lett 7: 187-192 (1997) Article DOI: 10.1016/S0960-894X(96)00601-4 BindingDB Entry DOI: 10.7270/Q23X86MF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50290422 (4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the platelet-derived growth factor receptor.				Bioorg Med Chem Lett 7: 187-192 (1997) Article DOI: 10.1016/S0960-894X(96)00601-4 BindingDB Entry DOI: 10.7270/Q23X86MF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50290422 (4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The First People's Hospital of Hangzhou Curated by ChEMBL					Assay Description Inhibition of BCR-ABL kinase (unknown origin)				Bioorg Med Chem Lett 23: 2442-50 (2013) Article DOI: 10.1016/j.bmcl.2013.01.113 BindingDB Entry DOI: 10.7270/Q2ZG6TMD
The First People's Hospital of Hangzhou Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50290422 (4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	4.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the platelet-derived growth factor receptor.				Bioorg Med Chem Lett 7: 187-192 (1997) Article DOI: 10.1016/S0960-894X(96)00601-4 BindingDB Entry DOI: 10.7270/Q23X86MF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50290422 (4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of c-Src-tyrosine kinase.				Bioorg Med Chem Lett 7: 187-192 (1997) Article DOI: 10.1016/S0960-894X(96)00601-4 BindingDB Entry DOI: 10.7270/Q23X86MF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)