BDBM50050874 CHEMBL3322550

SMILES: COC(=O)N1CCN(CC1)N(C)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1

InChI Key: InChIKey=WHLHQSDXDDEDSP-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 = 50050874   

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))	BDBM50050874 (CHEMBL3322550) Show SMILES COC(=O)N1CCN(CC1)N(C)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C29H38Cl2N6O5/c1-33(37-17-15-35(16-18-37)29(40)41-2)28(39)21-36(20-27(38)32-11-14-34-12-3-4-13-34)25-19-23(31)7-10-26(25)42-24-8-5-22(30)6-9-24/h5-10,19H,3-4,11-18,20-21H2,1-2H3,(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	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))	BDBM50050874 (CHEMBL3322550) Show SMILES COC(=O)N1CCN(CC1)N(C)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C29H38Cl2N6O5/c1-33(37-17-15-35(16-18-37)29(40)41-2)28(39)21-36(20-27(38)32-11-14-34-12-3-4-13-34)25-19-23(31)7-10-26(25)42-24-8-5-22(30)6-9-24/h5-10,19H,3-4,11-18,20-21H2,1-2H3,(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	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