Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'williams' and Initial = 'sj'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Arylsulfatase (Pseudomonas aeruginosa)	BDBM50098109 (3-nitrophenyl sulfamate | CHEMBL283560 | Sulfamic ...) Show SMILES NS(=O)(=O)Oc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C6H6N2O5S/c7-14(11,12)13-6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant arylsulfatase A expressed in Escherichia coli				Bioorg Med Chem Lett 19: 477-80 (2008) Article DOI: 10.1016/j.bmcl.2008.11.059 BindingDB Entry DOI: 10.7270/Q2M61K4G
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3965 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3130 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50168995 ((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...) Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r| Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50168995 ((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...) Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r| Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3994 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3991 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2948 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50482721 (Kifunensine) Show SMILES [H][C@]12NC(=O)C(=O)N1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r| Show InChI InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50482721 (Kifunensine) Show SMILES [H][C@]12NC(=O)C(=O)N1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r| Show InChI InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3858 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3962 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4073 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase/Alpha-1,2-mannosidase family protein/Alpha-1,2-mannosidase, putative/Glycoside hydrolase family 92/Putative alpha-1,2-mannosidase (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1032 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3963 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4093 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4092 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1878 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3784 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50065259 ((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50065259 ((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.89	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor				Bioorg Med Chem 20: 2353-61 (2012) Article DOI: 10.1016/j.bmc.2012.02.008 BindingDB Entry DOI: 10.7270/Q2F76DT2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266017 (5-(3,5-di-tert-butyl-4-hydroxyphenyl)-3H-1,2-dithi...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cc(=S)ss1 Show InChI InChI=1S/C17H22OS3/c1-16(2,3)11-7-10(13-9-14(19)21-20-13)8-12(15(11)18)17(4,5)6/h7-9,18H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA				Bioorg Med Chem Lett 19: 459-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of human platelet COX1 assessed as effect on prostaglandin E2 production by ELISA				Bioorg Med Chem Lett 19: 459-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50266016 (5-(3,5-di-tert-butyl-4-methoxyphenyl)-3H-1,2-dithi...) Show SMILES COc1c(cc(cc1C(C)(C)C)-c1cc(=S)ss1)C(C)(C)C Show InChI InChI=1S/C18H24OS3/c1-17(2,3)12-8-11(14-10-15(20)22-21-14)9-13(16(12)19-7)18(4,5)6/h8-10H,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA				Bioorg Med Chem Lett 19: 459-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA				Bioorg Med Chem Lett 19: 459-61 (2008) Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM432084 (US10577308, Compound 562) Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1 Show InChI InChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM432084 (US10577308, Compound 562) Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1 Show InChI InChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432084 (US10577308, Compound 562) Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1 Show InChI InChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432084 (US10577308, Compound 562) Show SMILES Cc1cccc(C)c1OCCCNC(c1ccccn1)c1ccccn1 Show InChI InChI=1S/C22H25N3O/c1-17-9-7-10-18(2)22(17)26-16-8-15-25-21(19-11-3-5-13-23-19)20-12-4-6-14-24-20/h3-7,9-14,21,25H,8,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432087 (US10577308, Compound 558) Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1 Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432082 (US10577308, Compound 553) Show SMILES CC(NCCCOc1c(C)cccc1C)c1ccccc1 Show InChI InChI=1S/C19H25NO/c1-15-9-7-10-16(2)19(15)21-14-8-13-20-17(3)18-11-5-4-6-12-18/h4-7,9-12,17,20H,8,13-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432087 (US10577308, Compound 558) Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1 Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432082 (US10577308, Compound 553) Show SMILES CC(NCCCOc1c(C)cccc1C)c1ccccc1 Show InChI InChI=1S/C19H25NO/c1-15-9-7-10-16(2)19(15)21-14-8-13-20-17(3)18-11-5-4-6-12-18/h4-7,9-12,17,20H,8,13-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50166895 (3-(4-Hydroxy-phenyl)-4H-chromen-7-ol | CHEMBL19556...) Show SMILES Oc1ccc(cc1)C1=COc2cc(O)ccc2C1 |t:8| Show InChI InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8-9,16-17H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor				Bioorg Med Chem 20: 2353-61 (2012) Article DOI: 10.1016/j.bmc.2012.02.008 BindingDB Entry DOI: 10.7270/Q2F76DT2
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM432087 (US10577308, Compound 558) Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1 Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM432087 (US10577308, Compound 558) Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1 Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM432082 (US10577308, Compound 553) Show SMILES CC(NCCCOc1c(C)cccc1C)c1ccccc1 Show InChI InChI=1S/C19H25NO/c1-15-9-7-10-16(2)19(15)21-14-8-13-20-17(3)18-11-5-4-6-12-18/h4-7,9-12,17,20H,8,13-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM432082 (US10577308, Compound 553) Show SMILES CC(NCCCOc1c(C)cccc1C)c1ccccc1 Show InChI InChI=1S/C19H25NO/c1-15-9-7-10-16(2)19(15)21-14-8-13-20-17(3)18-11-5-4-6-12-18/h4-7,9-12,17,20H,8,13-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM432087 (US10577308, Compound 558) Show SMILES Cc1cccc(C)c1OCCCNCc1cccc(c1)-c1cncnc1 Show InChI InChI=1S/C22H25N3O/c1-17-6-3-7-18(2)22(17)26-11-5-10-23-13-19-8-4-9-20(12-19)21-14-24-16-25-15-21/h3-4,6-9,12,14-16,23H,5,10-11,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432070 (US10577308, Compound 525) Show SMILES COc1cccc(CNCCCOc2c(C)cccc2C)c1 Show InChI InChI=1S/C19H25NO2/c1-15-7-4-8-16(2)19(15)22-12-6-11-20-14-17-9-5-10-18(13-17)21-3/h4-5,7-10,13,20H,6,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432075 (US10577308, Compound 536) Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1-c1ccccc1 Show InChI InChI=1S/C24H27NO/c1-19-10-8-11-20(2)24(19)26-17-9-16-25-18-22-14-6-7-15-23(22)21-12-4-3-5-13-21/h3-8,10-15,25H,9,16-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432075 (US10577308, Compound 536) Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1-c1ccccc1 Show InChI InChI=1S/C24H27NO/c1-19-10-8-11-20(2)24(19)26-17-9-16-25-18-22-14-6-7-15-23(22)21-12-4-3-5-13-21/h3-8,10-15,25H,9,16-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432070 (US10577308, Compound 525) Show SMILES COc1cccc(CNCCCOc2c(C)cccc2C)c1 Show InChI InChI=1S/C19H25NO2/c1-15-7-4-8-16(2)19(15)22-12-6-11-20-14-17-9-5-10-18(13-17)21-3/h4-5,7-10,13,20H,6,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432058 (US10577308, Compound 518) Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1 Show InChI InChI=1S/C18H23NO/c1-15-8-6-9-16(2)18(15)20-13-7-12-19-14-17-10-4-3-5-11-17/h3-6,8-11,19H,7,12-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Sodium channel protein type 2 subunit alpha (Homo sapiens (Human))	BDBM432058 (US10577308, Compound 518) Show SMILES Cc1cccc(C)c1OCCCNCc1ccccc1 Show InChI InChI=1S/C18H23NO/c1-15-8-6-9-16(2)18(15)20-13-7-12-19-14-17-10-4-3-5-11-17/h3-6,8-11,19H,7,12-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50419932 (IDRONOXIL) Show SMILES Oc1ccc(cc1)C1=Cc2ccc(O)cc2OC1 |t:8| Show InChI InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	661	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor				Bioorg Med Chem 20: 2353-61 (2012) Article DOI: 10.1016/j.bmc.2012.02.008 BindingDB Entry DOI: 10.7270/Q2F76DT2
					More data for this Ligand-Target Pair
Sodium channel protein type 8 subunit alpha (Homo sapiens (Human))	BDBM432077 (US10577308, Compound 530) Show SMILES COc1ccccc1CNCCCOc1c(C)cccc1C Show InChI InChI=1S/C19H25NO2/c1-15-8-6-9-16(2)19(15)22-13-7-12-20-14-17-10-4-5-11-18(17)21-3/h4-6,8-11,20H,7,12-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
The Florey Institute; The University of Melbourne US Patent					Assay Description Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian Cell...				US Patent US10577308 (2020) BindingDB Entry DOI: 10.7270/Q2CZ39JQ
					More data for this Ligand-Target Pair

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