BDBM50200111 CHEMBL3981566

SMILES: CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=VNFSDDHWIVSKFW-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50200111   

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
O-GlcNAc Transferase (OGT) (Homo sapiens (Human))	BDBM50200111 (CHEMBL3981566) Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H18N4O/c1-16(27)23-20-11-13-21(14-12-20)26-15-22(24-25-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of OGT (unknown origin) using variable UDP-GlcNAc levels and fixed CKII peptide level by UDP-Glo glycosyltransferase assay				J Med Chem 60: 263-272 (2017) Article DOI: 10.1021/acs.jmedchem.6b01237 BindingDB Entry DOI: 10.7270/Q20G3N47
					More data for this Ligand-Target Pair
O-GlcNAc Transferase (OGT) (Homo sapiens (Human))	BDBM50200111 (CHEMBL3981566) Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H18N4O/c1-16(27)23-20-11-13-21(14-12-20)26-15-22(24-25-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Noncompetitive inhibition of OGT (unknown origin) using fixed UDP-GlcNAc levels and variable CKII peptide level by UDP-Glo glycosyltransferase assay				J Med Chem 60: 263-272 (2017) Article DOI: 10.1021/acs.jmedchem.6b01237 BindingDB Entry DOI: 10.7270/Q20G3N47
					More data for this Ligand-Target Pair
O-GlcNAc Transferase (OGT) (Homo sapiens (Human))	BDBM50200111 (CHEMBL3981566) Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H18N4O/c1-16(27)23-20-11-13-21(14-12-20)26-15-22(24-25-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method				J Med Chem 60: 263-272 (2017) Article DOI: 10.1021/acs.jmedchem.6b01237 BindingDB Entry DOI: 10.7270/Q20G3N47
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50200111 (CHEMBL3981566) Show SMILES CC(=O)Nc1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H18N4O/c1-16(27)23-20-11-13-21(14-12-20)26-15-22(24-25-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ppGalNAcT2 (unknown origin) in presence of OGT, EA2 and UDP-GlcNAc incubated for 25 mins at 37 degC				J Med Chem 60: 263-272 (2017) Article DOI: 10.1021/acs.jmedchem.6b01237 BindingDB Entry DOI: 10.7270/Q20G3N47
					More data for this Ligand-Target Pair