BDBM50050883 CHEMBL3322541

SMILES: CN(C1CCc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1

InChI Key: InChIKey=XEOSNEZQGYRQBX-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 = 50050883   

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
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50050883 (CHEMBL3322541) Show SMILES CN(C1CCc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C33H38Cl2N4O3/c1-37(28-12-8-24-6-2-3-7-25(24)20-28)33(41)23-39(22-32(40)36-16-19-38-17-4-5-18-38)30-21-27(35)11-15-31(30)42-29-13-9-26(34)10-14-29/h2-3,6-7,9-11,13-15,21,28H,4-5,8,12,16-20,22-23H2,1H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis				Bioorg Med Chem 23: 4952-69 (2015) BindingDB Entry DOI: 10.7270/Q29888ST
					More data for this Ligand-Target Pair
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50050883 (CHEMBL3322541) Show SMILES CN(C1CCc2ccccc2C1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C33H38Cl2N4O3/c1-37(28-12-8-24-6-2-3-7-25(24)20-28)33(41)23-39(22-32(40)36-16-19-38-17-4-5-18-38)30-21-27(35)11-15-31(30)42-29-13-9-26(34)10-14-29/h2-3,6-7,9-11,13-15,21,28H,4-5,8,12,16-20,22-23H2,1H3,(H,36,40)	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	81	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant S-adenosyl-L-homocysteine hydrolase assessed as AdoHcy hydrolysis activity by HPLC analysis				Bioorg Med Chem Lett 24: 4336-40 (2014) Article DOI: 10.1016/j.bmcl.2014.06.008 BindingDB Entry DOI: 10.7270/Q2377BCP
					More data for this Ligand-Target Pair