BDBM50087414 2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-2-(2-trifluoromethyl-benzyl)-malonic acid diethyl ester::CHEMBL286566

SMILES: CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC

InChI Key: InChIKey=JCFLAQSWFIJKIG-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 = 50087414   

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))	BDBM50087414 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC |c:18| Show InChI InChI=1S/C25H31F3N4O5/c1-3-36-22(34)24(23(35)37-4-2,13-17-9-5-6-10-18(17)25(26,27)28)11-7-8-12-32-16-31-20-19(33)14-29-15-30-21(20)32/h5-6,9-10,15-16,19,33H,3-4,7-8,11-14H2,1-2H3,(H,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087414 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC |c:18| Show InChI InChI=1S/C25H31F3N4O5/c1-3-36-22(34)24(23(35)37-4-2,13-17-9-5-6-10-18(17)25(26,27)28)11-7-8-12-32-16-31-20-19(33)14-29-15-30-21(20)32/h5-6,9-10,15-16,19,33H,3-4,7-8,11-14H2,1-2H3,(H,29,30)	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 Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair