BDBM50438221 CHEMBL2407760

SMILES: CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12

InChI Key: InChIKey=ZWXIOQDBSVHEGC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50438221   

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 7 interacting protein 1 (Homo sapiens (Human))	BDBM50438221 (CHEMBL2407760) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-6-3-16(4-7-29)30-12-15(9-28-30)19-10-27-24(25)23-18(19)8-21(32-23)20-13-33-22-11-26-5-2-17(20)22/h2,5,8-13,16H,3-4,6-7H2,1H3,(H2,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438221 (CHEMBL2407760) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1csc2cnccc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-6-3-16(4-7-29)30-12-15(9-28-30)19-10-27-24(25)23-18(19)8-21(32-23)20-13-33-22-11-26-5-2-17(20)22/h2,5,8-13,16H,3-4,6-7H2,1H3,(H2,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair