BDBM50100586 3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-6-yl]-benzoic acid methyl ester::CHEMBL416498

SMILES: COC(=O)c1cccc(c1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C

InChI Key: InChIKey=YQRGMPPHNXHQSV-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 = 50100586   

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
Adenosine Kinase (AK) (Rattus norvegicus (rat))	BDBM50100586 (3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...) Show SMILES COC(=O)c1cccc(c1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H21N5O2/c1-28(2)17-9-7-14(8-10-17)20-18(12-19-21(24)25-13-26-22(19)27-20)15-5-4-6-16(11-15)23(29)30-3/h4-13H,1-3H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	66.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Adenosine kinase (AK)				J Med Chem 44: 2133-8 (2001) BindingDB Entry DOI: 10.7270/Q25D8R47
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50100586 (3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d...) Show SMILES COC(=O)c1cccc(c1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H21N5O2/c1-28(2)17-9-7-14(8-10-17)20-18(12-19-21(24)25-13-26-22(19)27-20)15-5-4-6-16(11-15)23(29)30-3/h4-13H,1-3H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells.				J Med Chem 44: 2133-8 (2001) BindingDB Entry DOI: 10.7270/Q25D8R47
					More data for this Ligand-Target Pair