BDBM50191676 CHEMBL3918552

SMILES: CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1

InChI Key: InChIKey=BIPRHBIWZRMDCA-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 = 50191676   

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
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50191676 (CHEMBL3918552) Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1 Show InChI InChI=1S/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hr...				J Med Chem 59: 7544-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33MR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50191676 (CHEMBL3918552) Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1 Show InChI InChI=1S/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of COT in LPS-stimulated human whole blood assessed as reduction in TNFalpha release incubated for 30 mins followed by stimulation with LP...				J Med Chem 59: 7544-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33MR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50191676 (CHEMBL3918552) Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1 Show InChI InChI=1S/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for ...				J Med Chem 59: 7544-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33MR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50191676 (CHEMBL3918552) Show SMILES CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1 Show InChI InChI=1S/C27H25N7OS2/c1-17(15-33-6-8-35-9-7-33)31-27-32-20-5-4-18(11-25(20)37-27)34-16-30-23-14-29-22-13-28-21(12-19(22)26(23)34)24-3-2-10-36-24/h2-5,10-14,16-17H,6-9,15H2,1H3,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...				J Med Chem 59: 7544-60 (2016) BindingDB Entry DOI: 10.7270/Q29P33MR
					More data for this Ligand-Target Pair