BDBM50087309 2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-hexanoic acid ethyl ester::CHEMBL289823

SMILES: CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1

InChI Key: InChIKey=XIRHWMQXMARTED-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 = 50087309   

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 2 (Homo sapiens (Human))	BDBM50087309 (2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1 |c:18| Show InChI InChI=1S/C21H27BrN4O3/c1-2-29-21(28)16(10-15-6-5-8-17(22)11-15)7-3-4-9-26-14-25-19-18(27)12-23-13-24-20(19)26/h5-6,8,11,13-14,16,18,27H,2-4,7,9-10,12H2,1H3,(H,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+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 Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087309 (2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1 |c:18| Show InChI InChI=1S/C21H27BrN4O3/c1-2-29-21(28)16(10-15-6-5-8-17(22)11-15)7-3-4-9-26-14-25-19-18(27)12-23-13-24-20(19)26/h5-6,8,11,13-14,16,18,27H,2-4,7,9-10,12H2,1H3,(H,23,24)	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 Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1495-507 (2000) BindingDB Entry DOI: 10.7270/Q2Z31XWJ
					More data for this Ligand-Target Pair