BDBM50032964 (R)-4-Amino-3-(4-chloro-phenyl)-butyric acid::4-Amino-3-(4-chloro-phenyl)-butyric acid::BACLOFEN::CHEMBL301742

SMILES: NC[C@H](CC(O)=O)c1ccc(Cl)cc1

InChI Key: InChIKey=KPYSYYIEGFHWSV-QMMMGPOBSA-N

Data: 3 IC50  1 EC50

PDB links: 3 PDB IDs match this monomer.

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 4 hits for monomerid = 50032964   

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
GABA-B receptor 1/2 (Homo sapiens (Human))	BDBM50032964 ((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...) Show SMILES NC[C@H](CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG Curated by ChEMBL					Assay Description Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum				J Med Chem 38: 3297-312 (1995) BindingDB Entry DOI: 10.7270/Q2N58KDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Homo sapiens (Human))	BDBM50032964 ((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...) Show SMILES NC[C@H](CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...				J Med Chem 56: 2456-65 (2013) Article DOI: 10.1021/jm301805e BindingDB Entry DOI: 10.7270/Q25T3MTS
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM50032964 ((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...) Show SMILES NC[C@H](CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor				J Med Chem 42: 2053-9 (1999) Article DOI: 10.1021/jm990076+ BindingDB Entry DOI: 10.7270/Q2WW7GV9
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM50032964 ((R)-4-Amino-3-(4-chloro-phenyl)-butyric acid | 4-A...) Show SMILES NC[C@H](CC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	32	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				3D Structure (crystal)