BDBM50050891 CHEMBL3322534

SMILES: CN(CCc1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1

InChI Key: InChIKey=RRGGGIQHTKRDSQ-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 = 50050891   

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))	BDBM50050891 (CHEMBL3322534) Show SMILES CN(CCc1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C31H36Cl2N4O3/c1-35(19-15-24-7-3-2-4-8-24)31(39)23-37(22-30(38)34-16-20-36-17-5-6-18-36)28-21-26(33)11-14-29(28)40-27-12-9-25(32)10-13-27/h2-4,7-14,21H,5-6,15-20,22-23H2,1H3,(H,34,38)	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	340	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))	BDBM50050891 (CHEMBL3322534) Show SMILES CN(CCc1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C31H36Cl2N4O3/c1-35(19-15-24-7-3-2-4-8-24)31(39)23-37(22-30(38)34-16-20-36-17-5-6-18-36)28-21-26(33)11-14-29(28)40-27-12-9-25(32)10-13-27/h2-4,7-14,21H,5-6,15-20,22-23H2,1H3,(H,34,38)	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	340	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