BDBM50087377 3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-benzoic acid::3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-benzoic acid (1.1H2O)::CHEMBL35524

SMILES: OC1CNC=Nc2c1ncn2CCc1cccc(c1)C(O)=O

InChI Key: InChIKey=NDZNCVGWUGOBIF-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 = 50087377   

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))	BDBM50087377 (3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cccc(c1)C(O)=O |c:4| Show InChI InChI=1S/C15H16N4O3/c20-12-7-16-8-17-14-13(12)18-9-19(14)5-4-10-2-1-3-11(6-10)15(21)22/h1-3,6,8-9,12,20H,4-5,7H2,(H,16,17)(H,21,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	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))	BDBM50087377 (3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cccc(c1)C(O)=O |c:4| Show InChI InChI=1S/C15H16N4O3/c20-12-7-16-8-17-14-13(12)18-9-19(14)5-4-10-2-1-3-11(6-10)15(21)22/h1-3,6,8-9,12,20H,4-5,7H2,(H,16,17)(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: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair