BDBM28569 N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)methanesulfonamide::thiazole-based tricyclic inhibitor, 36b

SMILES: CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1

InChI Key: InChIKey=POVJWLXOAPPGME-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 = 28569   

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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28569 (N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C17H18N6O2S2/c1-18-15-12-14(23(2)9-19-12)13-17(22-15)26-16(21-13)11-6-4-5-10(7-11)8-20-27(3,24)25/h4-7,9,20H,8H2,1-3H3,(H,18,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28569 (N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C17H18N6O2S2/c1-18-15-12-14(23(2)9-19-12)13-17(22-15)26-16(21-13)11-6-4-5-10(7-11)8-20-27(3,24)25/h4-7,9,20H,8H2,1-3H3,(H,18,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate				Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM28569 (N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C17H18N6O2S2/c1-18-15-12-14(23(2)9-19-12)13-17(22-15)26-16(21-13)11-6-4-5-10(7-11)8-20-27(3,24)25/h4-7,9,20H,8H2,1-3H3,(H,18,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair