BDBM50217369 3-(4-methoxyphenyl)-N-methyl-5-(1H-pyrrol-2-yl)-4,5-dihydropyrazole-1-carbothioamide::CHEMBL389226

SMILES: CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1

InChI Key: InChIKey=CJTHMEMTOLJQLE-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 50217369   

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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50217369 (3-(4-methoxyphenyl)-N-methyl-5-(1H-pyrrol-2-yl)-4,...) Show SMILES CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:5| Show InChI InChI=1S/C16H18N4OS/c1-17-16(22)20-15(13-4-3-9-18-13)10-14(19-20)11-5-7-12(21-2)8-6-11/h3-9,15,18H,10H2,1-2H3,(H,17,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of rat liver MAOB				Bioorg Med Chem 15: 5775-86 (2007) Article DOI: 10.1016/j.bmc.2007.06.004 BindingDB Entry DOI: 10.7270/Q2JH3N0R
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50217369 (3-(4-methoxyphenyl)-N-methyl-5-(1H-pyrrol-2-yl)-4,...) Show SMILES CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:5| Show InChI InChI=1S/C16H18N4OS/c1-17-16(22)20-15(13-4-3-9-18-13)10-14(19-20)11-5-7-12(21-2)8-6-11/h3-9,15,18H,10H2,1-2H3,(H,17,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of rat liver MAOA after 60 mins pre-incubation				Bioorg Med Chem 15: 5775-86 (2007) Article DOI: 10.1016/j.bmc.2007.06.004 BindingDB Entry DOI: 10.7270/Q2JH3N0R
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50217369 (3-(4-methoxyphenyl)-N-methyl-5-(1H-pyrrol-2-yl)-4,...) Show SMILES CNC(=S)N1N=C(CC1c1ccc[nH]1)c1ccc(OC)cc1 |c:5| Show InChI InChI=1S/C16H18N4OS/c1-17-16(22)20-15(13-4-3-9-18-13)10-14(19-20)11-5-7-12(21-2)8-6-11/h3-9,15,18H,10H2,1-2H3,(H,17,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of rat liver MAOB after 60 mins pre-incubation				Bioorg Med Chem 15: 5775-86 (2007) Article DOI: 10.1016/j.bmc.2007.06.004 BindingDB Entry DOI: 10.7270/Q2JH3N0R
					More data for this Ligand-Target Pair