BDBM50096174 1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid ethyl ester::CHEMBL157669

SMILES: CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Br

InChI Key: InChIKey=IRTXPOVWLLEEFL-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 = 50096174   

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))	BDBM50096174 (1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Br |c:18| Show InChI InChI=1S/C21H25BrN4O3/c1-2-29-21(28)16-9-13(14-5-3-4-6-15(14)18(16)22)7-8-26-12-25-19-17(27)10-23-11-24-20(19)26/h9,11-12,17,27H,2-8,10H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	530	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 (hAMPD3) (Homo sapiens (Human))	BDBM50096174 (1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Br |c:18| Show InChI InChI=1S/C21H25BrN4O3/c1-2-29-21(28)16-9-13(14-5-3-4-6-15(14)18(16)22)7-8-26-12-25-19-17(27)10-23-11-24-20(19)26/h9,11-12,17,27H,2-8,10H2,1H3,(H,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+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 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