BDBM50087407 2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-2-(4-trifluoromethyl-benzyl)-malonic acid (2H2O)::CHEMBL289398

SMILES: OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(cc1)C(F)(F)F)(C(O)=O)C(O)=O

InChI Key: InChIKey=JMXRYZISHCQKQY-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 = 50087407   

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))	BDBM50087407 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(cc1)C(F)(F)F)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-13(4-6-14)9-20(18(30)31,19(32)33)7-1-2-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-6,11-12,15,29H,1-2,7-10H2,(H,25,26)(H,30,31)(H,32,33)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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))	BDBM50087407 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(cc1)C(F)(F)F)(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-13(4-6-14)9-20(18(30)31,19(32)33)7-1-2-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-6,11-12,15,29H,1-2,7-10H2,(H,25,26)(H,30,31)(H,32,33)	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