BDBM50096160 4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-8-trifluoromethyl-naphthalene-2-carboxylic acid ethyl ester::CHEMBL156756

SMILES: CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2cccc(c2c1)C(F)(F)F

InChI Key: InChIKey=IJLTVCOLSADGPX-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 = 50096160   

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
Adenosine deaminase (Bos taurus (bovine))	BDBM50096160 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2cccc(c2c1)C(F)(F)F |c:18| Show InChI InChI=1S/C22H21F3N4O3/c1-2-32-21(31)14-8-13(15-4-3-5-17(16(15)9-14)22(23,24)25)6-7-29-12-28-19-18(30)10-26-11-27-20(19)29/h3-5,8-9,11-12,18,30H,2,6-7,10H2,1H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+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
AMP deaminase 3 (Homo sapiens (Human))	BDBM50096160 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2cccc(c2c1)C(F)(F)F |c:18| Show InChI InChI=1S/C22H21F3N4O3/c1-2-32-21(31)14-8-13(15-4-3-5-17(16(15)9-14)22(23,24)25)6-7-29-12-28-19-18(30)10-26-11-27-20(19)29/h3-5,8-9,11-12,18,30H,2,6-7,10H2,1H3,(H,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+4	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