BDBM48721 1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-urea::1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea::1-(3,4-dichlorophenyl)-3-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]urea::MLS000559245::SMR000178207::cid_1075698

SMILES: Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl

InChI Key: InChIKey=VENGYPNOQYXRLX-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 48721   

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
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human))	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
BZLF2 (Human herpesvirus 4 type 2)	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2W66J6B
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.56E+3	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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29G5K79
					More data for this Ligand-Target Pair
ATP-dependent DNA helicase Q1 (Homo sapiens (Human))	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of RECQ1 (unknown origin) by gel-based DNA unwinding assay				Bioorg Med Chem Lett 23: 5660-6 (2013) Checked by Author Article DOI: 10.1016/j.bmcl.2013.08.025 BindingDB Entry DOI: 10.7270/Q2KK9D78
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.30E+3	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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2445JXV
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.11E+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: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.29E+3	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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2NC5ZRN
					More data for this Ligand-Target Pair
Bloom syndrome protein (Homo sapiens (Human))	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay				Bioorg Med Chem Lett 23: 5660-6 (2013) Checked by Author Article DOI: 10.1016/j.bmcl.2013.08.025 BindingDB Entry DOI: 10.7270/Q2KK9D78
					More data for this Ligand-Target Pair
Werner syndrome ATP-dependent helicase (Homo sapiens (Human))	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of WRN (unknown origin) by gel-based DNA unwinding assay				Bioorg Med Chem Lett 23: 5660-6 (2013) Checked by Author Article DOI: 10.1016/j.bmcl.2013.08.025 BindingDB Entry DOI: 10.7270/Q2KK9D78
					More data for this Ligand-Target Pair
core protein (Hepatitis C virus)	BDBM48721 (1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...) Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29Z939R
					More data for this Ligand-Target Pair