BDBM50102929 5-(3-Bromo-phenyl)-7-[6-((R)-2-methoxy-pyrrolidin-1-yl)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine::CHEMBL62342

SMILES: CO[C@@H]1CCCN1c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1

InChI Key: InChIKey=HAKVGTIAOSHOCH-HXUWFJFHSA-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 = 50102929   

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))	BDBM50102929 (5-(3-Bromo-phenyl)-7-[6-((R)-2-methoxy-pyrrolidin-...) Show SMILES CO[C@@H]1CCCN1c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C23H21BrN6O/c1-31-20-6-3-9-30(20)19-8-7-15(12-26-19)18-11-17(14-4-2-5-16(24)10-14)21-22(25)27-13-28-23(21)29-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H2,25,27,28,29)/t20-/m1/s1	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	38	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
Adenosine kinase (Homo sapiens (Human))	BDBM50102929 (5-(3-Bromo-phenyl)-7-[6-((R)-2-methoxy-pyrrolidin-...) Show SMILES CO[C@@H]1CCCN1c1ccc(cn1)-c1cc(-c2cccc(Br)c2)c2c(N)ncnc2n1 Show InChI InChI=1S/C23H21BrN6O/c1-31-20-6-3-9-30(20)19-8-7-15(12-26-19)18-11-17(14-4-2-5-16(24)10-14)21-22(25)27-13-28-23(21)29-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3,(H2,25,27,28,29)/t20-/m1/s1	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	4.10	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