BDBM50032981 (3-Amino-propyl)-phosphonic acid::CHEMBL286077::Phosphate analogue, 8

SMILES: NCCCP(O)(O)=O

InChI Key: InChIKey=GSZQTIFGANBTNF-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50032981   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50032981 ((3-Amino-propyl)-phosphonic acid | CHEMBL286077 | ...) Show SMILES NCCCP(O)(O)=O Show InChI InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+6	-3.40	n/a	n/a	n/a	n/a	n/a	8.0	37
University of Bristol					Assay Description The assay was monitored spectrophotometrically through the consumption of beta-NADPH. The inhibitor assays contained inhibitor at concentrations of ...				Chembiochem 6: 1866-74 (2005) Article DOI: 10.1002/cbic.200500061 BindingDB Entry DOI: 10.7270/Q26D5RHB
					More data for this Ligand-Target Pair				3D Structure (docked)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM50032981 ((3-Amino-propyl)-phosphonic acid | CHEMBL286077 | ...) Show SMILES NCCCP(O)(O)=O Show InChI InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes				Bioorg Med Chem Lett 3: 515-518 (1993) Article DOI: 10.1016/S0960-894X(01)81218-X BindingDB Entry DOI: 10.7270/Q2BR8S4N
					More data for this Ligand-Target Pair
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM50032981 ((3-Amino-propyl)-phosphonic acid | CHEMBL286077 | ...) Show SMILES NCCCP(O)(O)=O Show InChI InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG Curated by ChEMBL					Assay Description Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex				J Med Chem 38: 3297-312 (1995) BindingDB Entry DOI: 10.7270/Q2N58KDP
					More data for this Ligand-Target Pair