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SMILES: OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(O)=O)c(Cl)c2CCCCc12

InChI Key: InChIKey=OGORQQICBKYNBE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50096164   

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
AMP deaminase 3 (Homo sapiens (Human))	BDBM50096164 (1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz...) Show SMILES OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(O)=O)c(Cl)c2CCCCc12 |c:4| Show InChI InChI=1S/C19H20Cl2N4O3/c20-15-11-4-2-1-3-10(11)12(16(21)14(15)19(27)28)5-6-25-9-24-17-13(26)7-22-8-23-18(17)25/h8-9,13,26H,1-7H2,(H,22,23)(H,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human E-type adenylate deaminase				J Med Chem 44: 613-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ659R
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50096164 (1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz...) Show SMILES OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(O)=O)c(Cl)c2CCCCc12 |c:4| Show InChI InChI=1S/C19H20Cl2N4O3/c20-15-11-4-2-1-3-10(11)12(16(21)14(15)19(27)28)5-6-25-9-24-17-13(26)7-22-8-23-18(17)25/h8-9,13,26H,1-7H2,(H,22,23)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of Calf intestinal adenosine deaminase (ADA).				J Med Chem 44: 613-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ659R
					More data for this Ligand-Target Pair