BDBM91823 CS98

SMILES: COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C

InChI Key: InChIKey=LYJPMCLSQFXPKD-UHFFFAOYSA-N

Data: 4 Kd

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 4 hits for monomerid = 91823   

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))	BDBM91823 (CS98) Show SMILES COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C Show InChI InChI=1S/C18H17FN4O2S/c1-23-17(12-7-9-13(19)10-8-12)21-22-18(23)26-11-16(24)20-14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM91823 (CS98) Show SMILES COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C Show InChI InChI=1S/C18H17FN4O2S/c1-23-17(12-7-9-13(19)10-8-12)21-22-18(23)26-11-16(24)20-14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method1				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM91823 (CS98) Show SMILES COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C Show InChI InChI=1S/C18H17FN4O2S/c1-23-17(12-7-9-13(19)10-8-12)21-22-18(23)26-11-16(24)20-14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method1				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM91823 (CS98) Show SMILES COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C Show InChI InChI=1S/C18H17FN4O2S/c1-23-17(12-7-9-13(19)10-8-12)21-22-18(23)26-11-16(24)20-14-5-3-4-6-15(14)25-2/h3-10H,11H2,1-2H3,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair