BDBM24152 3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido::thiophene containing compound, 15

SMILES: CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12

InChI Key: InChIKey=NZTHBWHANVWSRX-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain 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 = 24152   

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))	BDBM24152 (3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahy...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12 Show InChI InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.70E+3	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)