BDBM50217371 CHEMBL229499::CHEMBL541389::N-phenyl-5-(1H-pyrrol-2-yl)-3-p-tolyl-4,5-dihydropyrazole-1-carbothioamide

SMILES: Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1

InChI Key: InChIKey=XRNLPBGOTLBDNT-UHFFFAOYSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50217371   

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 (Rattus norvegicus (rat))	BDBM50217371 (CHEMBL229499 | CHEMBL541389 | N-phenyl-5-(1H-pyrro...) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C21H20N4S/c1-15-9-11-16(12-10-15)19-14-20(18-8-5-13-22-18)25(24-19)21(26)23-17-6-3-2-4-7-17/h2-13,20,22H,14H2,1H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.08E+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 MAOA				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))	BDBM50217371 (CHEMBL229499 | CHEMBL541389 | N-phenyl-5-(1H-pyrro...) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C21H20N4S/c1-15-9-11-16(12-10-15)19-14-20(18-8-5-13-22-18)25(24-19)21(26)23-17-6-3-2-4-7-17/h2-13,20,22H,14H2,1H3,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.41E+5	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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50217371 (CHEMBL229499 | CHEMBL541389 | N-phenyl-5-(1H-pyrro...) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C21H20N4S/c1-15-9-11-16(12-10-15)19-14-20(18-8-5-13-22-18)25(24-19)21(26)23-17-6-3-2-4-7-17/h2-13,20,22H,14H2,1H3,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.51E+5	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
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50217371 (CHEMBL229499 | CHEMBL541389 | N-phenyl-5-(1H-pyrro...) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C21H20N4S/c1-15-9-11-16(12-10-15)19-14-20(18-8-5-13-22-18)25(24-19)21(26)23-17-6-3-2-4-7-17/h2-13,20,22H,14H2,1H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.93E+4	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 (Rattus norvegicus (rat))	BDBM50217371 (CHEMBL229499 | CHEMBL541389 | N-phenyl-5-(1H-pyrro...) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc[nH]1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C21H20N4S/c1-15-9-11-16(12-10-15)19-14-20(18-8-5-13-22-18)25(24-19)21(26)23-17-6-3-2-4-7-17/h2-13,20,22H,14H2,1H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+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