BDBM91803 CS66

SMILES: CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1-c1ccncc1

InChI Key: InChIKey=PQOBKBYZAUWGCM-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 = 91803   

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))	BDBM91803 (CS66) Show SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1-c1ccncc1 Show InChI InChI=1S/C19H19N5O2S/c1-3-24-18(14-7-9-20-10-8-14)22-23-19(24)27-12-17(26)21-16-6-4-5-15(11-16)13(2)25/h4-11H,3,12H2,1-2H3,(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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))	BDBM91803 (CS66) Show SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1-c1ccncc1 Show InChI InChI=1S/C19H19N5O2S/c1-3-24-18(14-7-9-20-10-8-14)22-23-19(24)27-12-17(26)21-16-6-4-5-15(11-16)13(2)25/h4-11H,3,12H2,1-2H3,(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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))	BDBM91803 (CS66) Show SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1-c1ccncc1 Show InChI InChI=1S/C19H19N5O2S/c1-3-24-18(14-7-9-20-10-8-14)22-23-19(24)27-12-17(26)21-16-6-4-5-15(11-16)13(2)25/h4-11H,3,12H2,1-2H3,(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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))	BDBM91803 (CS66) Show SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1-c1ccncc1 Show InChI InChI=1S/C19H19N5O2S/c1-3-24-18(14-7-9-20-10-8-14)22-23-19(24)27-12-17(26)21-16-6-4-5-15(11-16)13(2)25/h4-11H,3,12H2,1-2H3,(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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