BDBM50087298 6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-phenyl-hexanoic acid 0.75H2O.0.27CH3CO2H::CHEMBL288348

SMILES: OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1ccccc1

InChI Key: InChIKey=HPKYTRFCSRXETB-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 = 50087298   

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))	BDBM50087298 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C18H22N4O3/c23-15-10-19-11-20-17-16(15)21-12-22(17)9-5-4-8-14(18(24)25)13-6-2-1-3-7-13/h1-3,6-7,11-12,14-15,23H,4-5,8-10H2,(H,19,20)(H,24,25)	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 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))	BDBM50087298 (6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C18H22N4O3/c23-15-10-19-11-20-17-16(15)21-12-22(17)9-5-4-8-14(18(24)25)13-6-2-1-3-7-13/h1-3,6-7,11-12,14-15,23H,4-5,8-10H2,(H,19,20)(H,24,25)	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