Compile Data Set for Download or QSAR

Found 9 hits of ki for monomerid = 50373877   

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
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	62	-41.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	85	-40.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	380	-36.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.25	n/a
TBA Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.25	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis				J Med Chem 20: 161-4 (1977) BindingDB Entry DOI: 10.7270/Q2JD4ZB9
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (RAT)	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	6.46E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair
Solute carrier family 22 member 1 (RAT)	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	7.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells				Pharm Res 18: 1528-34 (2001) BindingDB Entry DOI: 10.7270/Q28G8N0T
					More data for this Ligand-Target Pair