BDBM3018 3-(Benzylamino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine::3-N-benzyl-4-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine::4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 19

SMILES: Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1

InChI Key: InChIKey=BEXPELAOVIOQHQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 3018   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3018 (3-(Benzylamino)-4-((3-chlorophenyl)amino)-1H-pyraz...) Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1 Show InChI InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM3018 (3-(Benzylamino)-4-((3-chlorophenyl)amino)-1H-pyraz...) Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1 Show InChI InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM3018 (3-(Benzylamino)-4-((3-chlorophenyl)amino)-1H-pyraz...) Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1 Show InChI InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Protein Kinase C, alpha (Bos taurus (bovine))	BDBM3018 (3-(Benzylamino)-4-((3-chlorophenyl)amino)-1H-pyraz...) Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1 Show InChI InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3018 (3-(Benzylamino)-4-((3-chlorophenyl)amino)-1H-pyraz...) Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1 Show InChI InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3601-16 (1997) Article DOI: 10.1021/jm970124v BindingDB Entry DOI: 10.7270/Q2H70D0N
					More data for this Ligand-Target Pair