BDBM24170 3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido::thiophene containing compound, 33

SMILES: CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)Cc12

InChI Key: InChIKey=UQKSYQYWUHUIEH-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 1 hit for monomerid = 24170   

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
Kinesin Spindle Protein Eg5 (Homo sapiens (Human))	BDBM24170 (3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)Cc12 Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (crystal)