BDBM81346 CHEMBL538798::M9440 (Me-3,4-dephostatin)

SMILES: CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1

InChI Key: InChIKey=JSASWRWALCMOQP-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 81346   

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
TGM2/ Tyrosine Phosphatase (Homo sapiens (Human))	BDBM81346 (CHEMBL538798 | M9440 (Me-3,4-dephostatin)) Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	37
Duke University Medical Center					Assay Description In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase...				Chem Biol 15: 969-78 (2008) Article DOI: 10.1016/j.chembiol.2008.07.015 BindingDB Entry DOI: 10.7270/Q2DR2SZR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM81346 (CHEMBL538798 | M9440 (Me-3,4-dephostatin)) Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p56 Lck tyrosine kinase				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM81346 (CHEMBL538798 | M9440 (Me-3,4-dephostatin)) Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 4				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase, liver (Cavia porcellus)	BDBM81346 (CHEMBL538798 | M9440 (Me-3,4-dephostatin)) Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physical and Chemical Research (RIKEN) Curated by ChEMBL					Assay Description Inhibition of guinea pig liver transglutaminase				Bioorg Med Chem Lett 20: 1141-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.011 BindingDB Entry DOI: 10.7270/Q2QV3QB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM81346 (CHEMBL538798 | M9440 (Me-3,4-dephostatin)) Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Janus kinase 1				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM81346 (CHEMBL538798 | M9440 (Me-3,4-dephostatin)) Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM81346 (CHEMBL538798 | M9440 (Me-3,4-dephostatin)) Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Tuebingen Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by ELISA				Bioorg Med Chem Lett 27: 4229-4237 (2017) Article DOI: 10.1016/j.bmcl.2017.07.079 BindingDB Entry DOI: 10.7270/Q27P91Z2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM81346 (CHEMBL538798 | M9440 (Me-3,4-dephostatin)) Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibition of Janus kinase 3.				Bioorg Med Chem Lett 10: 575-9 (2000) BindingDB Entry DOI: 10.7270/Q24T6KNZ
					More data for this Ligand-Target Pair