BDBM50389082 CHEMBL2064536

SMILES: N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1

InChI Key: InChIKey=MBDKLKUFQIFGCR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50389082   

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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50389082 (CHEMBL2064536) Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1 Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant PKCalpha by FRET assay				J Med Chem 55: 4407-24 (2012) Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50389082 (CHEMBL2064536) Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1 Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p35 by FRET assay				J Med Chem 55: 4407-24 (2012) Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50389082 (CHEMBL2064536) Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1 Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3alpha				J Med Chem 55: 4407-24 (2012) Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50389082 (CHEMBL2064536) Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1 Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant CK1epsilon by FRET assay				J Med Chem 55: 4407-24 (2012) Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50389082 (CHEMBL2064536) Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1 Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins				J Med Chem 55: 4407-24 (2012) Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50389082 (CHEMBL2064536) Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1 Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant AurKA by FRET assay				J Med Chem 55: 4407-24 (2012) Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0
					More data for this Ligand-Target Pair