BDBM50237845 CHEMBL258040::N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE::N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-piperidin-1-yl-phenyl)-acetamide

SMILES: O=C(Cc1ccc(cc1)N1CCCCC1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O

InChI Key: InChIKey=ZXYIRNXOAJYLCU-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50237845   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50237845 (CHEMBL258040 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-Y...) Show SMILES O=C(Cc1ccc(cc1)N1CCCCC1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O Show InChI InChI=1S/C23H27N5O3S/c29-22(15-17-5-7-18(8-6-17)27-11-2-1-3-12-27)24-23-20-16-19(9-10-21(20)25-26-23)28-13-4-14-32(28,30)31/h5-10,16H,1-4,11-15H2,(H2,24,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	30	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				3D Structure (crystal)
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50237845 (CHEMBL258040 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-Y...) Show SMILES O=C(Cc1ccc(cc1)N1CCCCC1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O Show InChI InChI=1S/C23H27N5O3S/c29-22(15-17-5-7-18(8-6-17)27-11-2-1-3-12-27)24-23-20-16-19(9-10-21(20)25-26-23)28-13-4-14-32(28,30)31/h5-10,16H,1-4,11-15H2,(H2,24,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	150	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))	BDBM50237845 (CHEMBL258040 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-Y...) Show SMILES O=C(Cc1ccc(cc1)N1CCCCC1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O Show InChI InChI=1S/C23H27N5O3S/c29-22(15-17-5-7-18(8-6-17)27-11-2-1-3-12-27)24-23-20-16-19(9-10-21(20)25-26-23)28-13-4-14-32(28,30)31/h5-10,16H,1-4,11-15H2,(H2,24,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	750	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