BDBM50413871 CHEMBL473080

SMILES: NCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12

InChI Key: InChIKey=HNQXYQNMPSACKT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50413871   

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))	BDBM50413871 (CHEMBL473080) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C15H16N4O2S/c16-7-10-19-22(20,21)12-3-1-11(2-4-12)13-5-8-17-15-14(13)6-9-18-15/h1-6,8-9,19H,7,10,16H2,(H,17,18)	PDB 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	40	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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50413871 (CHEMBL473080) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C15H16N4O2S/c16-7-10-19-22(20,21)12-3-1-11(2-4-12)13-5-8-17-15-14(13)6-9-18-15/h1-6,8-9,19H,7,10,16H2,(H,17,18)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant ROCK1				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50413871 (CHEMBL473080) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C15H16N4O2S/c16-7-10-19-22(20,21)12-3-1-11(2-4-12)13-5-8-17-15-14(13)6-9-18-15/h1-6,8-9,19H,7,10,16H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK1				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50413871 (CHEMBL473080) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C15H16N4O2S/c16-7-10-19-22(20,21)12-3-1-11(2-4-12)13-5-8-17-15-14(13)6-9-18-15/h1-6,8-9,19H,7,10,16H2,(H,17,18)	PDB 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	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair