BDBM50105903 CHEMBL3597822

SMILES: CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1Oc1ccc(Cl)cc1

InChI Key: InChIKey=YLERKPYXQJNREW-MUUNZHRXSA-N

Data: 1 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 1 hit for monomerid = 50105903   

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))	BDBM50105903 (CHEMBL3597822) Show SMILES CN(C1Cc2ccccc2C1)C(=O)CN(CC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H42Cl2N4O5/c1-36(2,3)47-35(45)42-17-7-10-28(42)21-39-33(43)22-41(23-34(44)40(4)29-18-24-8-5-6-9-25(24)19-29)31-20-27(38)13-16-32(31)46-30-14-11-26(37)12-15-30/h5-6,8-9,11-16,20,28-29H,7,10,17-19,21-23H2,1-4H3,(H,39,43)/t28-/m1/s1	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	600	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