BDBM50542442 CHEMBL4632987

SMILES: Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(Br)c1

InChI Key: InChIKey=FOHHARPNBZPXNS-SNAWJCMRSA-N

Data: 3 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 3 hits for monomerid = 50542442   

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
Lanosterol synthase (Rattus norvegicus)	BDBM50542442 (CHEMBL4632987) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(Br)c1 Show InChI InChI=1S/C15H10BrNO5/c16-11-3-1-2-9(6-11)4-5-13(18)10-7-12(17(21)22)15(20)14(19)8-10/h1-8,19-20H/b5-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of COMT (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50542442 (CHEMBL4632987) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(Br)c1 Show InChI InChI=1S/C15H10BrNO5/c16-11-3-1-2-9(6-11)4-5-13(18)10-7-12(17(21)22)15(20)14(19)8-10/h1-8,19-20H/b5-4+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA expressed in insect cells measured after 20 mins by fluorescence spectrophotometry				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50542442 (CHEMBL4632987) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(Br)c1 Show InChI InChI=1S/C15H10BrNO5/c16-11-3-1-2-9(6-11)4-5-13(18)10-7-12(17(21)22)15(20)14(19)8-10/h1-8,19-20H/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB expressed in insect cells measured after 20 mins by fluorescence spectrophotometry				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair