Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM7238 ((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...) Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10| Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of His-6-tagged CDK2 (unknown origin) expressed in baculovirus-infected insect cells using histone H1 as substrate after 1 hr by by liquid...				J Med Chem 57: 578-99 (2014) Article DOI: 10.1021/jm401073p BindingDB Entry DOI: 10.7270/Q28W3FSW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM7238 ((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...) Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10| Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Inhibition of CDK2				AAPS J 8: 204-21 (2006) Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1   (298/298 = 100%)† (Homo sapiens (Human))	BDBM7238 ((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...) Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10| Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.4	22
SUGEN, Inc.					Assay Description For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...				Bioorg Med Chem Lett 13: 1939-42 (2003) Article DOI: 10.1016/s0960-894x(03)00312-3 BindingDB Entry DOI: 10.7270/Q2HD7SW7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM60927 (1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...) Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12 Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity to human Cdk2 by fluorescence spectroscopy				Bioorg Med Chem 19: 6743-9 (2011) Article DOI: 10.1016/j.bmc.2011.09.049 BindingDB Entry DOI: 10.7270/Q2VD6ZXG
					More data for this Ligand-Target Pair				3D Structure (crystal)

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