BDBM11017 (+)-(R)4::(5R)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide::1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazole deriv. 4R

SMILES: NC(=S)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1

InChI Key: InChIKey=MRHSLKWFXGABPK-OAHLLOKOSA-N

Data: 2 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 2 hits for monomerid = 11017   

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 A (MAO-A) (Bos taurus)	BDBM11017 ((+)-(R)4 | (5R)-5-(4-chlorophenyl)-3-(4-fluorophen...) Show SMILES NC(=S)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 |r,c:4| Show InChI InChI=1S/C16H13ClFN3S/c17-12-5-1-11(2-6-12)15-9-14(20-21(15)16(19)22)10-3-7-13(18)8-4-10/h1-8,15H,9H2,(H2,19,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	12	-11.3	n/a	n/a	n/a	n/a	n/a	7.4	38
Universita degli Studi di Roma La Sapienza					Assay Description MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...				J Med Chem 48: 7113-22 (2005) Article DOI: 10.1021/jm040903t BindingDB Entry DOI: 10.7270/Q2JH3JDW
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Bos taurus)	BDBM11017 ((+)-(R)4 | (5R)-5-(4-chlorophenyl)-3-(4-fluorophen...) Show SMILES NC(=S)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 |r,c:4| Show InChI InChI=1S/C16H13ClFN3S/c17-12-5-1-11(2-6-12)15-9-14(20-21(15)16(19)22)10-3-7-13(18)8-4-10/h1-8,15H,9H2,(H2,19,22)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	-8.33	n/a	n/a	n/a	n/a	n/a	7.4	38
Universita degli Studi di Roma La Sapienza					Assay Description MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...				J Med Chem 48: 7113-22 (2005) Article DOI: 10.1021/jm040903t BindingDB Entry DOI: 10.7270/Q2JH3JDW
					More data for this Ligand-Target Pair