BDBM50304152 3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-1Hindazol::CHEMBL596453

SMILES: NC(=S)N1N=C2CCCCC2C1c1ccco1

InChI Key: InChIKey=VWBIQNFSFHCRAW-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 = 50304152   

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))	BDBM50304152 (3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...) Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1 |t:4| Show InChI InChI=1S/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	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))	BDBM50304152 (3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...) Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1 |t:4| Show InChI InChI=1S/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+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))	BDBM50304152 (3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...) Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1 |t:4| Show InChI InChI=1S/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+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))	BDBM50304152 (3-(2-Furyl)-2-thiocarbamoyl-2,3,4,5,6,7-hexahydro-...) Show SMILES NC(=S)N1N=C2CCCCC2C1c1ccco1 |t:4| Show InChI InChI=1S/C12H15N3OS/c13-12(17)15-11(10-6-3-7-16-10)8-4-1-2-5-9(8)14-15/h3,6-8,11H,1-2,4-5H2,(H2,13,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.02E+4	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