BDBM50304153 3-(2-Furyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6,7-hexahydro-2H-indazol::CHEMBL607552

SMILES: CNC(=S)N1N=C2CCCCC2C1c1ccco1

InChI Key: InChIKey=FBNZNYMVFHXNOR-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50304153   

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))	BDBM50304153 (3-(2-Furyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6,7...) Show SMILES CNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:5| Show InChI InChI=1S/C13H17N3OS/c1-14-13(18)16-12(11-7-4-8-17-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically				Bioorg Med Chem 17: 6761-72 (2009) Article DOI: 10.1016/j.bmc.2009.07.033 BindingDB Entry DOI: 10.7270/Q2TQ61M2
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50304153 (3-(2-Furyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6,7...) Show SMILES CNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:5| Show InChI InChI=1S/C13H17N3OS/c1-14-13(18)16-12(11-7-4-8-17-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically				Bioorg Med Chem 17: 6761-72 (2009) Article DOI: 10.1016/j.bmc.2009.07.033 BindingDB Entry DOI: 10.7270/Q2TQ61M2
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50304153 (3-(2-Furyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6,7...) Show SMILES CNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:5| Show InChI InChI=1S/C13H17N3OS/c1-14-13(18)16-12(11-7-4-8-17-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically				Bioorg Med Chem 17: 6761-72 (2009) Article DOI: 10.1016/j.bmc.2009.07.033 BindingDB Entry DOI: 10.7270/Q2TQ61M2
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50304153 (3-(2-Furyl)-2-(N-methylthiocarbamoyl)-3,3a,4,5,6,7...) Show SMILES CNC(=S)N1N=C2CCCCC2C1c1ccco1 |t:5| Show InChI InChI=1S/C13H17N3OS/c1-14-13(18)16-12(11-7-4-8-17-11)9-5-2-3-6-10(9)15-16/h4,7-9,12H,2-3,5-6H2,1H3,(H,14,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically				Bioorg Med Chem 17: 6761-72 (2009) Article DOI: 10.1016/j.bmc.2009.07.033 BindingDB Entry DOI: 10.7270/Q2TQ61M2
					More data for this Ligand-Target Pair