BDBM50121456 1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone::CHEMBL331650

SMILES: CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O

InChI Key: InChIKey=SXSUDGOMXIPDMU-UHFFFAOYSA-N

Data: 4 KI

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 = 50121456   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50121456 (1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4| Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibiting activityof the compound was determined against human Monoamine oxidase B				Bioorg Med Chem Lett 12: 3629-33 (2002) BindingDB Entry DOI: 10.7270/Q22B8XD8
					More data for this Ligand-Target Pair
Monoamine oxidase (Bos taurus)	BDBM50121456 (1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4| Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibiting activityof the compound was determined against bovine Monoamine oxidase A				Bioorg Med Chem Lett 12: 3629-33 (2002) BindingDB Entry DOI: 10.7270/Q22B8XD8
					More data for this Ligand-Target Pair
Monoamine oxidase (Bos taurus)	BDBM50121456 (1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4| Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria				Bioorg Med Chem Lett 12: 3629-33 (2002) BindingDB Entry DOI: 10.7270/Q22B8XD8
					More data for this Ligand-Target Pair
Diamine oxidase (DAO) (Homo sapiens (Human))	BDBM50121456 (1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O |c:4| Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)				Bioorg Med Chem Lett 12: 3629-33 (2002) BindingDB Entry DOI: 10.7270/Q22B8XD8
					More data for this Ligand-Target Pair