BDBM50268068 CHEMBL4068336

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1

InChI Key: InChIKey=VVIOURASCFJYKF-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 = 50268068   

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))	BDBM50268068 (CHEMBL4068336) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C18H23N5O2/c1-22(13-17(19)24)12-14-3-2-4-15(9-14)16-10-20-18(21-11-16)23-5-7-25-8-6-23/h2-4,9-11H,5-8,12-13H2,1H3,(H2,19,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair
Amine oxidase, copper containing (Rattus norvegicus (Rat))	BDBM50268068 (CHEMBL4068336) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C18H23N5O2/c1-22(13-17(19)24)12-14-3-2-4-15(9-14)16-10-20-18(21-11-16)23-5-7-25-8-6-23/h2-4,9-11H,5-8,12-13H2,1H3,(H2,19,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
					More data for this Ligand-Target Pair