BDBM50087418 6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-methyl-2-phenethylcarbamoyl-hexanoic acid 0.75H2O.0.3CH3CO2H::CHEMBL287822

SMILES: CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NCCc1ccccc1

InChI Key: InChIKey=RBWOXWHYYOMFDY-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 = 50087418   

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))	BDBM50087418 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NCCc1ccccc1 |c:14| Show InChI InChI=1S/C22H29N5O4/c1-22(21(30)31,20(29)24-11-9-16-7-3-2-4-8-16)10-5-6-12-27-15-26-18-17(28)13-23-14-25-19(18)27/h2-4,7-8,14-15,17,28H,5-6,9-13H2,1H3,(H,23,25)(H,24,29)(H,30,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+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 porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087418 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NCCc1ccccc1 |c:14| Show InChI InChI=1S/C22H29N5O4/c1-22(21(30)31,20(29)24-11-9-16-7-3-2-4-8-16)10-5-6-12-27-15-26-18-17(28)13-23-14-25-19(18)27/h2-4,7-8,14-15,17,28H,5-6,9-13H2,1H3,(H,23,25)(H,24,29)(H,30,31)	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: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair