BDBM50087321 2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-indan-2-carboxylic acid 1H2O::CHEMBL37713

SMILES: OC1CNC=Nc2c1ncn2CCCCC1(Cc2ccccc2C1)C(O)=O

InChI Key: InChIKey=OKELXQCITSLUFC-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 = 50087321   

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))	BDBM50087321 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC1(Cc2ccccc2C1)C(O)=O |c:4| Show InChI InChI=1S/C20H24N4O3/c25-16-11-21-12-22-18-17(16)23-13-24(18)8-4-3-7-20(19(26)27)9-14-5-1-2-6-15(14)10-20/h1-2,5-6,12-13,16,25H,3-4,7-11H2,(H,21,22)(H,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	970	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))	BDBM50087321 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES OC1CNC=Nc2c1ncn2CCCCC1(Cc2ccccc2C1)C(O)=O |c:4| Show InChI InChI=1S/C20H24N4O3/c25-16-11-21-12-22-18-17(16)23-13-24(18)8-4-3-7-20(19(26)27)9-14-5-1-2-6-15(14)10-20/h1-2,5-6,12-13,16,25H,3-4,7-11H2,(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 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