Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 420.4 BDBM50237857

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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 (Homo sapiens (Human))	BDBM50237857 (CHEMBL254979 | N-[5-(1,1-dioxo-1lambda*6*-isothiaz...) Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O Show InChI InChI=1S/C22H20N4O3S/c27-21(13-15-6-7-16-4-1-2-5-17(16)12-15)23-22-19-14-18(8-9-20(19)24-25-22)26-10-3-11-30(26,28)29/h1-2,4-9,12,14H,3,10-11,13H2,(H2,23,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 2292-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.002 BindingDB Entry DOI: 10.7270/Q2QN66H5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50237857 (CHEMBL254979 | N-[5-(1,1-dioxo-1lambda*6*-isothiaz...) Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O Show InChI InChI=1S/C22H20N4O3S/c27-21(13-15-6-7-16-4-1-2-5-17(16)12-15)23-22-19-14-18(8-9-20(19)24-25-22)26-10-3-11-30(26,28)29/h1-2,4-9,12,14H,3,10-11,13H2,(H2,23,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 18: 2292-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.002 BindingDB Entry DOI: 10.7270/Q2QN66H5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50237857 (CHEMBL254979 | N-[5-(1,1-dioxo-1lambda*6*-isothiaz...) Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O Show InChI InChI=1S/C22H20N4O3S/c27-21(13-15-6-7-16-4-1-2-5-17(16)12-15)23-22-19-14-18(8-9-20(19)24-25-22)26-10-3-11-30(26,28)29/h1-2,4-9,12,14H,3,10-11,13H2,(H2,23,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of CDK4				Bioorg Med Chem Lett 18: 2292-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.002 BindingDB Entry DOI: 10.7270/Q2QN66H5
					More data for this Ligand-Target Pair