BDBM50102927 5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ol::CHEMBL62974

SMILES: Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1

InChI Key: InChIKey=FDEVESJTXOFBMY-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 = 50102927   

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 (Homo sapiens (Human))	BDBM50102927 (5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1 Show InChI InChI=1S/C23H21BrN6O/c24-16-3-1-2-14(10-16)18-11-19(29-23-21(18)22(25)27-13-28-23)15-4-5-20(26-12-15)30-8-6-17(31)7-9-30/h1-5,10-13,17,31H,6-9H2,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50102927 (5'-[4-Amino-5-(3-bromo-phenyl)-pyrido[2,3-d]pyrimi...) Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCC(O)CC1 Show InChI InChI=1S/C23H21BrN6O/c24-16-3-1-2-14(10-16)18-11-19(29-23-21(18)22(25)27-13-28-23)15-4-5-20(26-12-15)30-8-6-17(31)7-9-30/h1-5,10-13,17,31H,6-9H2,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme				Bioorg Med Chem Lett 11: 2071-4 (2001) BindingDB Entry DOI: 10.7270/Q2CN735Q
					More data for this Ligand-Target Pair