BDBM50096178 4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid ethyl ester::CHEMBL156990

SMILES: CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1

InChI Key: InChIKey=CNOMRJLBANYXCZ-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 = 50096178   

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))	BDBM50096178 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1 |c:18| Show InChI InChI=1S/C21H26N4O3/c1-2-28-21(27)16-9-14-5-3-4-6-17(14)15(10-16)7-8-25-13-24-19-18(26)11-22-12-23-20(19)25/h9-10,12-13,18,26H,2-8,11H2,1H3,(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+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))	BDBM50096178 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1 |c:18| Show InChI InChI=1S/C21H26N4O3/c1-2-28-21(27)16-9-14-5-3-4-6-17(14)15(10-16)7-8-25-13-24-19-18(26)11-22-12-23-20(19)25/h9-10,12-13,18,26H,2-8,11H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+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 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