BDBM50096167 4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-3-methoxy-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid::CHEMBL157743

SMILES: COc1c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2cc1C(O)=O

InChI Key: InChIKey=MMCPYGUEHSGHMU-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 = 50096167   

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))	BDBM50096167 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COc1c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2cc1C(O)=O |c:14| Show InChI InChI=1S/C20H24N4O4/c1-28-18-14(13-5-3-2-4-12(13)8-15(18)20(26)27)6-7-24-11-23-17-16(25)9-21-10-22-19(17)24/h8,10-11,16,25H,2-7,9H2,1H3,(H,21,22)(H,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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))	BDBM50096167 (4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COc1c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2cc1C(O)=O |c:14| Show InChI InChI=1S/C20H24N4O4/c1-28-18-14(13-5-3-2-4-12(13)8-15(18)20(26)27)6-7-24-11-23-17-16(25)9-21-10-22-19(17)24/h8,10-11,16,25H,2-7,9H2,1H3,(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