BDBM40985 2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanamide::2-(4-chloro-3-methyl-phenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide::2-(4-chloro-3-methylphenoxy)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide::MLS000115713::SMR000092747::cid_4454678

SMILES: Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1

InChI Key: InChIKey=BKPIHOZLZOFZCF-UHFFFAOYSA-N

Data: 3 IC50  3 EC50

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 6 hits for monomerid = 40985   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM40985 (2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-...) Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 Show InChI InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.88E+3	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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2GX48ZN
					More data for this Ligand-Target Pair
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human))	BDBM40985 (2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-...) Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 Show InChI InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.97E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2707ZV7
					More data for this Ligand-Target Pair
core protein (Hepatitis C virus)	BDBM40985 (2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-...) Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 Show InChI InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)	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
nuclear receptor coactivator 1 isoform 1 (Homo sapiens (Human))	BDBM40985 (2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-...) Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 Show InChI InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.05E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2FT8JGV
					More data for this Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM40985 (2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-...) Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 Show InChI InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.70E+3	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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2H993M3
					More data for this Ligand-Target Pair
NCOA2 protein (Homo sapiens (Human))	BDBM40985 (2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-...) Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 Show InChI InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2QZ28CS
					More data for this Ligand-Target Pair