null

SMILES: COc1cc(OC)cc(c1)C#Cc1ccc2cc(CCCO)oc(=O)c2c1

InChI Key: InChIKey=LFNLHHDSPPMHLQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 76777   

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
Sentrin-specific protease 6 (Homo sapiens (Human))	BDBM76777 (7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypro...) Show SMILES COc1cc(OC)cc(c1)C#Cc1ccc2cc(CCCO)oc(=O)c2c1 Show InChI InChI=1S/C22H20O5/c1-25-19-10-16(11-20(14-19)26-2)6-5-15-7-8-17-13-18(4-3-9-23)27-22(24)21(17)12-15/h7-8,10-14,23H,3-4,9H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.16E+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 (2010) BindingDB Entry DOI: 10.7270/Q27H1H10
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Aspergillus niger)	BDBM76777 (7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypro...) Show SMILES COc1cc(OC)cc(c1)C#Cc1ccc2cc(CCCO)oc(=O)c2c1 Show InChI InChI=1S/C22H20O5/c1-25-19-10-16(11-20(14-19)26-2)6-5-15-7-8-17-13-18(4-3-9-23)27-22(24)21(17)12-15/h7-8,10-14,23H,3-4,9H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>5.96E+4	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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2PK0DN5
					More data for this Ligand-Target Pair
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM76777 (7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypro...) Show SMILES COc1cc(OC)cc(c1)C#Cc1ccc2cc(CCCO)oc(=O)c2c1 Show InChI InChI=1S/C22H20O5/c1-25-19-10-16(11-20(14-19)26-2)6-5-15-7-8-17-13-18(4-3-9-23)27-22(24)21(17)12-15/h7-8,10-14,23H,3-4,9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.06E+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/Q2MS3R7H
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM76777 (7-[2-(3,5-dimethoxyphenyl)ethynyl]-3-(3-hydroxypro...) Show SMILES COc1cc(OC)cc(c1)C#Cc1ccc2cc(CCCO)oc(=O)c2c1 Show InChI InChI=1S/C22H20O5/c1-25-19-10-16(11-20(14-19)26-2)6-5-15-7-8-17-13-18(4-3-9-23)27-22(24)21(17)12-15/h7-8,10-14,23H,3-4,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.10E+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/Q2RJ4GZT
					More data for this Ligand-Target Pair