Compounds in cluster

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5 similar compounds to monomer 59249

Wt: 282.2
BDBM59245

Wt: 308.3
BDBM59246

Wt: 252.2
BDBM59247

Wt: 280.3
BDBM59250

Wt: 282.2
BDBM50363622

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 59245,59246,59247,59250,50363622
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM59246 (Benzotriazole ester, 14) Show SMILES CCN(CC)c1ccc(cc1)C(=O)Cn1nnc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Academia Sinica					Assay Description Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.				Chem Biol 13: 261-8 (2006) Article DOI: 10.1016/j.chembiol.2005.12.008 BindingDB Entry DOI: 10.7270/Q21C1V9G
Academia Sinica					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM59250 (Benzotriazole ester, 18) Show SMILES CN(C)c1ccc(cc1)C(=O)Cn1nnc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Academia Sinica					Assay Description Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.				Chem Biol 13: 261-8 (2006) Article DOI: 10.1016/j.chembiol.2005.12.008 BindingDB Entry DOI: 10.7270/Q21C1V9G
Academia Sinica					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50363622 (CHEMBL1529996) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectro...				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
Universit£ degli Studi di Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric-oxide synthase, endothelial (Mus musculus)	BDBM50363622 (CHEMBL1529996) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
Universit£ degli Studi di Catania Curated by ChEMBL					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM59245 (Benzotriazole ester, 13) Show SMILES O=C(Cn1nnc2ccccc12)c1ccc(cc1)N(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
Academia Sinica					Assay Description Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.				Chem Biol 13: 261-8 (2006) Article DOI: 10.1016/j.chembiol.2005.12.008 BindingDB Entry DOI: 10.7270/Q21C1V9G
Academia Sinica					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM59247 (Benzotriazole ester, 15) Show SMILES Nc1ccc(cc1)C(=O)Cn1nnc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
Academia Sinica					Assay Description Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.				Chem Biol 13: 261-8 (2006) Article DOI: 10.1016/j.chembiol.2005.12.008 BindingDB Entry DOI: 10.7270/Q21C1V9G
Academia Sinica					More data for this Ligand-Target Pair