BDBM50050890 CHEMBL3322535

SMILES: Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN2CCCC2)CC(=O)N2CCC(CC2)c2ccccc2)cc1

InChI Key: InChIKey=KHJRVIYMDMYOJV-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 = 50050890   

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))	BDBM50050890 (CHEMBL3322535) Show SMILES Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN2CCCC2)CC(=O)N2CCC(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C33H38Cl2N4O3/c34-27-8-11-29(12-9-27)42-31-13-10-28(35)22-30(31)39(23-32(40)36-16-21-37-17-4-5-18-37)24-33(41)38-19-14-26(15-20-38)25-6-2-1-3-7-25/h1-3,6-13,22,26H,4-5,14-21,23-24H2,(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	970	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))	BDBM50050890 (CHEMBL3322535) Show SMILES Clc1ccc(Oc2ccc(Cl)cc2N(CC(=O)NCCN2CCCC2)CC(=O)N2CCC(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C33H38Cl2N4O3/c34-27-8-11-29(12-9-27)42-31-13-10-28(35)22-30(31)39(23-32(40)36-16-21-37-17-4-5-18-37)24-33(41)38-19-14-26(15-20-38)25-6-2-1-3-7-25/h1-3,6-13,22,26H,4-5,14-21,23-24H2,(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	970	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