BDBM50427444 CHEMBL2326313

SMILES: OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=GBSMHFFKPGLHAZ-FFAJQDNGSA-N

Data: 3 KI  2 IC50  2 Kd

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 7 hits for monomerid = 50427444   

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
Histo-blood group ABO system transferase (Homo sapiens (Human))	BDBM50427444 (CHEMBL2326313) Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions				J Med Chem 56: 2150-4 (2013) Article DOI: 10.1021/jm300642a BindingDB Entry DOI: 10.7270/Q26T0P01
					More data for this Ligand-Target Pair
Histo-blood group ABO system transferase (Homo sapiens (Human))	BDBM50427444 (CHEMBL2326313) Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.65E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Competitive inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by Michaelis-Menten equation analysis in presence of m...				J Med Chem 56: 2150-4 (2013) Article DOI: 10.1021/jm300642a BindingDB Entry DOI: 10.7270/Q26T0P01
					More data for this Ligand-Target Pair
Histo-blood group ABO system transferase (Homo sapiens (Human))	BDBM50427444 (CHEMBL2326313) Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions				J Med Chem 56: 2150-4 (2013) Article DOI: 10.1021/jm300642a BindingDB Entry DOI: 10.7270/Q26T0P01
					More data for this Ligand-Target Pair
Histo-blood group ABO system transferase (Homo sapiens (Human))	BDBM50427444 (CHEMBL2326313) Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions				J Med Chem 56: 2150-4 (2013) Article DOI: 10.1021/jm300642a BindingDB Entry DOI: 10.7270/Q26T0P01
					More data for this Ligand-Target Pair
Histo-blood group ABO system transferase (Homo sapiens (Human))	BDBM50427444 (CHEMBL2326313) Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.54E+5	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Binding affinity to human blood group B Galactosyltransferase after 300 secs by SPR analysis				J Med Chem 56: 2150-4 (2013) Article DOI: 10.1021/jm300642a BindingDB Entry DOI: 10.7270/Q26T0P01
					More data for this Ligand-Target Pair
Histo-blood group ABO system transferase (Homo sapiens (Human))	BDBM50427444 (CHEMBL2326313) Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Binding affinity to human blood group B Galactosyltransferase by STD NMR analysis in presence of magnesium ions				J Med Chem 56: 2150-4 (2013) Article DOI: 10.1021/jm300642a BindingDB Entry DOI: 10.7270/Q26T0P01
					More data for this Ligand-Target Pair
Histo-blood group ABO system transferase (Homo sapiens (Human))	BDBM50427444 (CHEMBL2326313) Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions				J Med Chem 56: 2150-4 (2013) Article DOI: 10.1021/jm300642a BindingDB Entry DOI: 10.7270/Q26T0P01
					More data for this Ligand-Target Pair