BDBM129000 US8802679, 95

SMILES: CN(Cc1cccc(c1)-c1cnc(nc1)N1Cc2cccnc2C1)C(=O)CN

InChI Key: InChIKey=PFHNADXHZMQLMB-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 = 129000   

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) (Rattus norvegicus (Rat))	BDBM129000 (US8802679, 95) Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1Cc2cccnc2C1)C(=O)CN Show InChI InChI=1S/C21H22N6O/c1-26(20(28)9-22)12-15-4-2-5-16(8-15)18-10-24-21(25-11-18)27-13-17-6-3-7-23-19(17)14-27/h2-8,10-11H,9,12-14,22H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description A rat VAP-enzyme 1 (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme suspe...				US Patent US8802679 (2014) BindingDB Entry DOI: 10.7270/Q2M61HZD
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM129000 (US8802679, 95) Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1Cc2cccnc2C1)C(=O)CN Show InChI InChI=1S/C21H22N6O/c1-26(20(28)9-22)12-15-4-2-5-16(8-15)18-10-24-21(25-11-18)27-13-17-6-3-7-23-19(17)14-27/h2-8,10-11H,9,12-14,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme sus...				US Patent US8802679 (2014) BindingDB Entry DOI: 10.7270/Q2M61HZD
					More data for this Ligand-Target Pair