BDBM54792 2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)ethanamide::2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide::2-[(3-cyano-5,8-dimethyl-2-quinolinyl)thio]-N-(2-ethyl-6-methylphenyl)acetamide::2-[(3-cyano-5,8-dimethyl-2-quinolyl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide::CHEMBL1713374::MLS-0412203.0001::cid_1450182

SMILES: CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N

InChI Key: InChIKey=JKCMFDJAOHQAOB-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 54792   

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
Leukocyte common antigen (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of CD45				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of LYP expressed in Escherichia coli BL21 using ARLIED-NEpYTAREG substrate				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST) (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate				J Med Chem 54: 1640-54 (2011) Article DOI: 10.1021/jm101202j BindingDB Entry DOI: 10.7270/Q2RN38Z0
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2 (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	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 (2010) BindingDB Entry DOI: 10.7270/Q28G8J5T
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>2.00E+5	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/Q2ZP44JJ
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	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, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2B56H6M
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	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 (2010) BindingDB Entry DOI: 10.7270/Q26H4FVR
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	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 (2010) BindingDB Entry DOI: 10.7270/Q2QZ28FP
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>2.00E+5	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, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M9073J
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.23E+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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BR8QNJ
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM54792 (2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...) Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>2.00E+5	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/Q2BZ64GK
					More data for this Ligand-Target Pair