BDBM50096177 6-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-naphthalene-2-carboxylic acid::CHEMBL156217

SMILES: OC1CNC=Nc2c1ncn2CCc1cc(cc2ccc(Br)cc12)C(O)=O

InChI Key: InChIKey=AJEMOPXEMMOAAC-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 = 50096177   

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))	BDBM50096177 (6-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2ccc(Br)cc12)C(O)=O |c:4| Show InChI InChI=1S/C19H17BrN4O3/c20-14-2-1-11-5-13(19(26)27)6-12(15(11)7-14)3-4-24-10-23-17-16(25)8-21-9-22-18(17)24/h1-2,5-7,9-10,16,25H,3-4,8H2,(H,21,22)(H,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	960	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))	BDBM50096177 (6-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...) Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2ccc(Br)cc12)C(O)=O |c:4| Show InChI InChI=1S/C19H17BrN4O3/c20-14-2-1-11-5-13(19(26)27)6-12(15(11)7-14)3-4-24-10-23-17-16(25)8-21-9-22-18(17)24/h1-2,5-7,9-10,16,25H,3-4,8H2,(H,21,22)(H,26,27)	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 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