BDBM50117830 CHEMBL3613953

SMILES: Oc1cc(O)c(NC(=O)C2(CCC2)c2ccccc2)cc1Cl

InChI Key: InChIKey=BOHOWRMNYYPMPP-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50117830   

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
Alpha-ketoglutarate-dependent dioxygenase FTO (Homo sapiens (Human))	BDBM50117830 (CHEMBL3613953) Show SMILES Oc1cc(O)c(NC(=O)C2(CCC2)c2ccccc2)cc1Cl Show InChI InChI=1S/C17H16ClNO3/c18-12-9-13(15(21)10-14(12)20)19-16(22)17(7-4-8-17)11-5-2-1-3-6-11/h1-3,5-6,9-10,20-21H,4,7-8H2,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Binding affinity to FTO (unknown origin) (31 to 505 residues) expressed in Escherichia coli BL21 (DE3) by ITC method				J Med Chem 58: 7341-8 (2015) BindingDB Entry DOI: 10.7270/Q2X068TB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO (Homo sapiens (Human))	BDBM50117830 (CHEMBL3613953) Show SMILES Oc1cc(O)c(NC(=O)C2(CCC2)c2ccccc2)cc1Cl Show InChI InChI=1S/C17H16ClNO3/c18-12-9-13(15(21)10-14(12)20)19-16(22)17(7-4-8-17)11-5-2-1-3-6-11/h1-3,5-6,9-10,20-21H,4,7-8H2,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	4.95E+3	n/a	n/a	n/a	n/a	n/a	25
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of FTO (unknown origin) (31 to 505 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in 15-mer ssRNA (5'-CUUG...				J Med Chem 58: 7341-8 (2015) BindingDB Entry DOI: 10.7270/Q2X068TB
					More data for this Ligand-Target Pair				3D Structure (crystal)