BDBM50433266 CHEMBL2376169

SMILES: [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(s1)-c1ccc(cc1)S([#6])(=O)=O

InChI Key: InChIKey=XPDIYTRIOSKBDT-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50433266   

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
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM50433266 (CHEMBL2376169) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(s1)-c1ccc(cc1)S([#6])(=O)=O Show InChI InChI=1S/C21H23N5O3S2/c1-13(27)24-21-26-18(12-5-14-3-8-16(9-4-14)25-20(22)23)19(30-21)15-6-10-17(11-7-15)31(2,28)29/h3-4,6-11H,5,12H2,1-2H3,(H4,22,23,25)(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	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))	BDBM50433266 (CHEMBL2376169) Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])c(s1)-c1ccc(cc1)S([#6])(=O)=O Show InChI InChI=1S/C21H23N5O3S2/c1-13(27)24-21-26-18(12-5-14-3-8-16(9-4-14)25-20(22)23)19(30-21)15-6-10-17(11-7-15)31(2,28)29/h3-4,6-11H,5,12H2,1-2H3,(H4,22,23,25)(H,24,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	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