BDBM50297422 1-(3-(2,6-dihydroxyphenyl)-5-m-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone::4,5-Dihydro-(1H)-pyrazole derivative, 1f::CHEMBL560280

SMILES: CC(=O)N1N=C(CC1c1cccc(C)c1)c1c(O)cccc1O

InChI Key: InChIKey=QEVNXDJBQMCVRY-UHFFFAOYSA-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 = 50297422   

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) A (Homo sapiens (Human))	BDBM50297422 (1-(3-(2,6-dihydroxyphenyl)-5-m-tolyl-4,5-dihydro-1...) Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1c(O)cccc1O |c:4| Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-6-13(9-11)15-10-14(19-20(15)12(2)21)18-16(22)7-4-8-17(18)23/h3-9,15,22-23H,10H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma					Assay Description Monoamine oxidase inhibitory activity of derivatives of 4, dihydro-(1H)-pyrazole.				Chem Biol Drug Des 67: 206-14 (2006) Article DOI: 10.1111/j.1747-0285.2006.00367.x BindingDB Entry DOI: 10.7270/Q26W98JB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297422 (1-(3-(2,6-dihydroxyphenyl)-5-m-tolyl-4,5-dihydro-1...) Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1c(O)cccc1O |c:4| Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-6-13(9-11)15-10-14(19-20(15)12(2)21)18-16(22)7-4-8-17(18)23/h3-9,15,22-23H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297422 (1-(3-(2,6-dihydroxyphenyl)-5-m-tolyl-4,5-dihydro-1...) Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1c(O)cccc1O |c:4| Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-6-13(9-11)15-10-14(19-20(15)12(2)21)18-16(22)7-4-8-17(18)23/h3-9,15,22-23H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma					Assay Description Monoamine oxidase inhibitory activity of derivatives of 4, dihydro-(1H)-pyrazole.				Chem Biol Drug Des 67: 206-14 (2006) Article DOI: 10.1111/j.1747-0285.2006.00367.x BindingDB Entry DOI: 10.7270/Q26W98JB
					More data for this Ligand-Target Pair