BDBM50433257 CHEMBL2376160::CHEMBL2376161

SMILES: [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2ccc(cc2)S([#6])(=O)=O)s1

InChI Key: InChIKey=KGHOAUPVYIZJSU-UHFFFAOYSA-N

Data: 4 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 = 50433257   

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
D-Amino Acid Oxidase (DAAO) (Rattus norvegicus (rat))	BDBM50433257 (CHEMBL2376160 | CHEMBL2376161) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2ccc(cc2)S([#6])(=O)=O)s1 Show InChI InChI=1S/C22H25N5O3S2/c1-14(28)25-22-27-19(12-7-15-3-8-17(9-4-15)26-21(23)24)20(31-22)13-16-5-10-18(11-6-16)32(2,29)30/h3-6,8-11H,7,12-13H2,1-2H3,(H4,23,24,26)(H,25,27,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat DAO using [14C]-putrescine as substrate after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM50433257 (CHEMBL2376160 | CHEMBL2376161) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2ccc(cc2)S([#6])(=O)=O)s1 Show InChI InChI=1S/C22H25N5O3S2/c1-14(28)25-22-27-19(12-7-15-3-8-17(9-4-15)26-21(23)24)20(31-22)13-16-5-10-18(11-6-16)32(2,29)30/h3-6,8-11H,7,12-13H2,1-2H3,(H4,23,24,26)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Rattus norvegicus (Rat))	BDBM50433257 (CHEMBL2376160 | CHEMBL2376161) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2ccc(cc2)S([#6])(=O)=O)s1 Show InChI InChI=1S/C22H25N5O3S2/c1-14(28)25-22-27-19(12-7-15-3-8-17(9-4-15)26-21(23)24)20(31-22)13-16-5-10-18(11-6-16)32(2,29)30/h3-6,8-11H,7,12-13H2,1-2H3,(H4,23,24,26)(H,25,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1...				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50433257 (CHEMBL2376160 | CHEMBL2376161) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(-[#6]-c2ccc(cc2)S([#6])(=O)=O)s1 Show InChI InChI=1S/C22H25N5O3S2/c1-14(28)25-22-27-19(12-7-15-3-8-17(9-4-15)26-21(23)24)20(31-22)13-16-5-10-18(11-6-16)32(2,29)30/h3-6,8-11H,7,12-13H2,1-2H3,(H4,23,24,26)(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human DAO expressed in CHO cells using [14C]-putrescine as substrate after 1 hr by scintillation counting analysis				Bioorg Med Chem 21: 2478-94 (2013) Article DOI: 10.1016/j.bmc.2013.02.048 BindingDB Entry DOI: 10.7270/Q2M046TZ
					More data for this Ligand-Target Pair