BDBM50096176 4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-3-methoxy-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid ethyl ester::CHEMBL160384

SMILES: CCOC(=O)c1cc2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)c1OC

InChI Key: InChIKey=CDRWHDFUDSLBOV-UHFFFAOYSA-N

Data: 2 KI

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 = 50096176   

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 (hAMPD3) (Homo sapiens (Human))	BDBM50096176 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)c1cc2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)c1OC |c:25| Show InChI InChI=1S/C22H28N4O4/c1-3-30-22(28)17-10-14-6-4-5-7-15(14)16(20(17)29-2)8-9-26-13-25-19-18(27)11-23-12-24-21(19)26/h10,12-13,18,27H,3-9,11H2,1-2H3,(H,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+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 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))	BDBM50096176 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)c1cc2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)c1OC |c:25| Show InChI InChI=1S/C22H28N4O4/c1-3-30-22(28)17-10-14-6-4-5-7-15(14)16(20(17)29-2)8-9-26-13-25-19-18(27)11-23-12-24-21(19)26/h10,12-13,18,27H,3-9,11H2,1-2H3,(H,23,24)	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