Affinity Data by PDB ID

PDB code 4MS4

Identical Ligands in BindingDB

Found 16 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	Purchase CHEBI 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) Article DOI: 10.1021/jm701425k BindingDB Entry DOI: 10.7270/Q2M32T2T
AstraZeneca					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (412/412 = 100%)^† (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid \| Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article 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				J Med Chem 58: 6336-47 (2015) Article DOI: 10.1021/jm5018913 BindingDB Entry DOI: 10.7270/Q2T155F6
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (412/412 = 100%)^† (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	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article 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) Article DOI: 10.1021/jm00017a015 BindingDB Entry DOI: 10.7270/Q2N58KDP
Ciba-Geigy AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	30	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (411/425 = 97%)^† (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article 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) Article DOI: 10.1021/jm00017a015 BindingDB Entry DOI: 10.7270/Q2N58KDP
Ciba-Geigy AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (412/412 = 100%)^† (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid \| Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article 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				J Med Chem 38: 3297-312 (1995) Article DOI: 10.1021/jm00017a015 BindingDB Entry DOI: 10.7270/Q2N58KDP
Ciba-Geigy AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-baclofen from Gamma-aminobutyric acid type B receptor in rat brain membranes				J Med Chem 28: 1440-6 (1985) Article DOI: 10.1021/jm00148a012 BindingDB Entry DOI: 10.7270/Q2TD9WC9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	107	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) Article DOI: 10.1021/jm00017a015 BindingDB Entry DOI: 10.7270/Q2N58KDP
Ciba-Geigy AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (411/425 = 97%)^† (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL 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
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) Article DOI: 10.1021/jm00112a033 BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes				J Med Chem 30: 743-6 (1987) Article DOI: 10.1021/jm00387a031 BindingDB Entry DOI: 10.7270/Q22V2GPC
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes				Bioorg Med Chem Lett 6: 1709-1714 (1996) Article DOI: 10.1016/0960-894X(96)00307-1 BindingDB Entry DOI: 10.7270/Q22J6CCH
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France. Curated by ChEMBL					Assay Description Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.				J Med Chem 34: 2557-60 (1991) Article DOI: 10.1021/jm00112a033 BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Neurochimie du CNRS Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 34: 1307-13 (1991) Article DOI: 10.1021/jm00108a011 BindingDB Entry DOI: 10.7270/Q27D2VRW
Centre de Neurochimie du CNRS Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (412/412 = 100%)^† (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	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI 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) Article DOI: 10.1021/jm301805e BindingDB Entry DOI: 10.7270/Q25T3MTS
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-B receptor 1/2 (412/412 = 100%)^† (Homo sapiens (Human))	BDBM24182 (4-amino-3-(4-chlorophenyl)butanoic acid \| Baclofen...) Show SMILES NCC(CC(O)=O)c1ccc(Cl)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI 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) Article DOI: 10.1021/jm301805e BindingDB Entry DOI: 10.7270/Q25T3MTS
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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Search BindingMOAD for More Affinity Data:

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