Affinity Data by PDB ID

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PDB code 4MS4

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
gamma-Aminobutyric Acid Type B Receptor (411/425 = 97%)^† (Rattus norvegicus (rat))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid \| Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	220	-37.6	n/a	n/a	750	n/a	n/a	7.4	22
AstraZeneca					Assay Description Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assa...				J Med Chem 51: 4315-20 (2008)
AstraZeneca					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (425/425 = 100%)^† (Homo sapiens)	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid \| Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]CGP54626 from GABA-B receptor (unknown origin) by radioligand binding assay				Citation and Details
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (425/425 = 100%)^† (Homo sapiens)	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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL 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				Citation and Details
CIBA-GEIGY AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (425/425 = 100%)^† (Homo sapiens)	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid \| Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	35	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				Citation and Details
CIBA-GEIGY AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (425/425 = 100%)^† (Homo sapiens)	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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL 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)
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (425/425 = 100%)^† (Homo sapiens)	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid \| Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	1.70E+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)
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output