BDBM50087399 2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-malonic acid (1.33H2O)::CHEMBL290684

SMILES: OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(O)=O

InChI Key: InChIKey=NPSZSLTWVAUNIG-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 = 50087399   

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))	BDBM50087399 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C13H18N4O5/c18-9-5-14-6-15-11-10(9)16-7-17(11)4-2-1-3-8(12(19)20)13(21)22/h6-9,18H,1-5H2,(H,14,15)(H,19,20)(H,21,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+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 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))	BDBM50087399 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C13H18N4O5/c18-9-5-14-6-15-11-10(9)16-7-17(11)4-2-1-3-8(12(19)20)13(21)22/h6-9,18H,1-5H2,(H,14,15)(H,19,20)(H,21,22)	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