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BDBM50312364 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide::CHEMBL1080447

SMILES: NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=ABVLEDJVQBYJHS-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50312364   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50312364
PNG
(3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13Cl2N3S/c17-12-5-1-10(2-6-12)14-9-15(21(20-14)16(19)22)11-3-7-13(18)8-4-11/h1-8,15H,9H2,(H2,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.94E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50312364
PNG
(3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13Cl2N3S/c17-12-5-1-10(2-6-12)14-9-15(21(20-14)16(19)22)11-3-7-13(18)8-4-11/h1-8,15H,9H2,(H2,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.89E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair