Affinity Data by PDB ID

PDB code 3KMR

Identical Ligands in BindingDB

Found 15 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
Retinoic acid receptor alpha (246/246 = 100%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)				J Med Chem 43: 409-19 (2000) BindingDB Entry DOI: 10.7270/Q28S4P4M
Eisai Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (214/244 = 88%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Transcriptional activity against RARbeta1				J Med Chem 48: 7517-9 (2005) Article DOI: 10.1021/jm050891r BindingDB Entry DOI: 10.7270/Q26M39JQ
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (214/244 = 88%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta				J Med Chem 39: 3035-8 (1996) Article DOI: 10.1021/jm9603532 BindingDB Entry DOI: 10.7270/Q2W37VD3
Allergan Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor alpha (246/246 = 100%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha				J Med Chem 39: 3035-8 (1996) Article DOI: 10.1021/jm9603532 BindingDB Entry DOI: 10.7270/Q2W37VD3
Allergan Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor alpha (246/246 = 100%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Effective concentration for retinoic acid receptor RAR gamma transcriptional activation				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (214/244 = 88%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor RAR gamma				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor alpha (246/246 = 100%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (214/244 = 88%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	8.60	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...				Bioorg Med Chem Lett 19: 489-92 (2008) Article DOI: 10.1016/j.bmcl.2008.11.040 BindingDB Entry DOI: 10.7270/Q2GF0TC9
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor alpha (246/246 = 100%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at RARalpha by TR-FRET assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (214/244 = 88%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	19.9	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay				J Med Chem 52: 1540-5 (2009) Article DOI: 10.1021/jm801532e BindingDB Entry DOI: 10.7270/Q2K938R9
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (214/244 = 88%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	50.1	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay				J Med Chem 52: 1540-5 (2009) Article DOI: 10.1021/jm801532e BindingDB Entry DOI: 10.7270/Q2K938R9
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor alpha (246/246 = 100%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	79.4	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay				J Med Chem 52: 1540-5 (2009) Article DOI: 10.1021/jm801532e BindingDB Entry DOI: 10.7270/Q2K938R9
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (214/244 = 88%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Transcriptional activity against RARbeta2				J Med Chem 48: 7517-9 (2005) Article DOI: 10.1021/jm050891r BindingDB Entry DOI: 10.7270/Q26M39JQ
ACADIA Pharmaceuticals AB Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (214/244 = 88%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor RAR beta				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor alpha (246/246 = 100%)^† (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
Allergan Inc. Curated by ChEMBL					Assay Description Binding affinity fo retinoic acid receptor RAR alpha				Bioorg Med Chem Lett 12: 3145-8 (2002) BindingDB Entry DOI: 10.7270/Q2WW7H0H
Allergan Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

Reorder this table by ec50
Reorder this table by ic50
Reorder this table by Kd
Reorder this table by pH
Reorder this table by T
Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

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