BDBM50313012 10-(4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-3,4-dihydropyrazino[1,2-a]indole-2(1H)-carbothioamide::CHEMBL1088724::ROCHE screening, 62

SMILES: Cn1cc(C2=C(C(=O)NC2=O)c2c3CN(CCn3c3ccccc23)C(N)=S)c2ccccc12

InChI Key: InChIKey=BTWNSUFXMWNHMU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50313012   

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
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50313012 (10-(4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihyd...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c3CN(CCn3c3ccccc23)C(N)=S)c2ccccc12 |t:4| Show InChI InChI=1S/C25H21N5O2S/c1-28-12-16(14-6-2-4-8-17(14)28)21-22(24(32)27-23(21)31)20-15-7-3-5-9-18(15)30-11-10-29(25(26)33)13-19(20)30/h2-9,12H,10-11,13H2,1H3,(H2,26,33)(H,27,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund					Assay Description IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...				ACS Chem Biol 10: 289-98 (2015) Article DOI: 10.1021/cb500908d BindingDB Entry DOI: 10.7270/Q2WH2NRB
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50313012 (10-(4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihyd...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c3CN(CCn3c3ccccc23)C(N)=S)c2ccccc12 |t:4| Show InChI InChI=1S/C25H21N5O2S/c1-28-12-16(14-6-2-4-8-17(14)28)21-22(24(32)27-23(21)31)20-15-7-3-5-9-18(15)30-11-10-29(25(26)33)13-19(20)30/h2-9,12H,10-11,13H2,1H3,(H2,26,33)(H,27,31,32)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...				Bioorg Med Chem Lett 20: 1693-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.038 BindingDB Entry DOI: 10.7270/Q2ZK5HNS
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50313012 (10-(4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihyd...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c3CN(CCn3c3ccccc23)C(N)=S)c2ccccc12 |t:4| Show InChI InChI=1S/C25H21N5O2S/c1-28-12-16(14-6-2-4-8-17(14)28)21-22(24(32)27-23(21)31)20-15-7-3-5-9-18(15)30-11-10-29(25(26)33)13-19(20)30/h2-9,12H,10-11,13H2,1H3,(H2,26,33)(H,27,31,32)	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	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of PKCalpha				Bioorg Med Chem Lett 20: 1693-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.038 BindingDB Entry DOI: 10.7270/Q2ZK5HNS
					More data for this Ligand-Target Pair