BDBM50097865 CHEMBL3589774

SMILES: OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12

InChI Key: InChIKey=JVOJITSSVWIBHZ-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50097865   

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
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50097865 (CHEMBL3589774) Show SMILES OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C14H7ClN2O2S/c15-7-3-1-2-6-9-11(17-10(6)7)13-8(4-5-20-13)16-12(9)14(18)19/h1-5,17H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50097865 (CHEMBL3589774) Show SMILES OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C14H7ClN2O2S/c15-7-3-1-2-6-9-11(17-10(6)7)13-8(4-5-20-13)16-12(9)14(18)19/h1-5,17H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK9 expressed in insect cells using CDK7/9 tide as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50097865 (CHEMBL3589774) Show SMILES OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C14H7ClN2O2S/c15-7-3-1-2-6-9-11(17-10(6)7)13-8(4-5-20-13)16-12(9)14(18)19/h1-5,17H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50097865 (CHEMBL3589774) Show SMILES OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C14H7ClN2O2S/c15-7-3-1-2-6-9-11(17-10(6)7)13-8(4-5-20-13)16-12(9)14(18)19/h1-5,17H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50097865 (CHEMBL3589774) Show SMILES OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12 Show InChI InChI=1S/C14H7ClN2O2S/c15-7-3-1-2-6-9-11(17-10(6)7)13-8(4-5-20-13)16-12(9)14(18)19/h1-5,17H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis				J Med Chem 58: 3131-43 (2015) Article DOI: 10.1021/jm501994d BindingDB Entry DOI: 10.7270/Q2736SPK
					More data for this Ligand-Target Pair