BDBM50213677 (S)-2-amino-1-(4-propylthiophenyl)-propane::CHEMBL229472

SMILES: CCCSc1ccc(C[C@H](C)N)cc1

InChI Key: InChIKey=HIOIYGZUYPHUTC-JTQLQIEISA-N

Data: 4 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 4 hits for monomerid = 50213677   

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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50213677 ((S)-2-amino-1-(4-propylthiophenyl)-propane | CHEMB...) Show SMILES CCCSc1ccc(C[C@H](C)N)cc1 Show InChI InChI=1S/C12H19NS/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris				Bioorg Med Chem 15: 5198-206 (2007) Article DOI: 10.1016/j.bmc.2007.05.021 BindingDB Entry DOI: 10.7270/Q2DN44RX
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50213677 ((S)-2-amino-1-(4-propylthiophenyl)-propane | CHEMB...) Show SMILES CCCSc1ccc(C[C@H](C)N)cc1 Show InChI InChI=1S/C12H19NS/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of rat brain MAOA				Bioorg Med Chem 15: 5198-206 (2007) Article DOI: 10.1016/j.bmc.2007.05.021 BindingDB Entry DOI: 10.7270/Q2DN44RX
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50213677 ((S)-2-amino-1-(4-propylthiophenyl)-propane | CHEMB...) Show SMILES CCCSc1ccc(C[C@H](C)N)cc1 Show InChI InChI=1S/C12H19NS/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris				Bioorg Med Chem 15: 5198-206 (2007) Article DOI: 10.1016/j.bmc.2007.05.021 BindingDB Entry DOI: 10.7270/Q2DN44RX
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50213677 ((S)-2-amino-1-(4-propylthiophenyl)-propane | CHEMB...) Show SMILES CCCSc1ccc(C[C@H](C)N)cc1 Show InChI InChI=1S/C12H19NS/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of rat brain MAOB				Bioorg Med Chem 15: 5198-206 (2007) Article DOI: 10.1016/j.bmc.2007.05.021 BindingDB Entry DOI: 10.7270/Q2DN44RX
					More data for this Ligand-Target Pair