BDBM64818 4-[[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid::4-[[2-[1-[(4-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid::4-[[2-[1-[(4-chlorophenyl)carbamoyl]propylthio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid::4-[[2-[[1-(4-chloroanilino)-1-oxobutan-2-yl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]benzoic acid::MLS-0435427.0001::cid_4189667

SMILES: CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=CJNCFWYZCUQTRK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 64818   

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
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM64818 (4-[[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfany...) Show SMILES CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C24H20ClN3O4S2/c1-2-19(21(29)26-17-9-7-16(25)8-10-17)34-24-27-18-11-12-33-20(18)22(30)28(24)13-14-3-5-15(6-4-14)23(31)32/h3-12,19H,2,13H2,1H3,(H,26,29)(H,31,32)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2028PZ5
					More data for this Ligand-Target Pair
Huntingtin (Homo sapiens (Human))	BDBM64818 (4-[[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfany...) Show SMILES CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C24H20ClN3O4S2/c1-2-19(21(29)26-17-9-7-16(25)8-10-17)34-24-27-18-11-12-33-20(18)22(30)28(24)13-14-3-5-15(6-4-14)23(31)32/h3-12,19H,2,13H2,1H3,(H,26,29)(H,31,32)	PDB KEGG GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2N58K09
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM64818 (4-[[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfany...) Show SMILES CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C24H20ClN3O4S2/c1-2-19(21(29)26-17-9-7-16(25)8-10-17)34-24-27-18-11-12-33-20(18)22(30)28(24)13-14-3-5-15(6-4-14)23(31)32/h3-12,19H,2,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F47MKR
					More data for this Ligand-Target Pair