Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50003750   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50413260 (CHEMBL198794) Show SMILES CCCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22(23)24/h10-17H,2-9H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50475528 (CHEMBL365798) Show SMILES CCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	63	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50413260 (CHEMBL198794) Show SMILES CCCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22(23)24/h10-17H,2-9H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50413272 (AC-261066 | CHEMBL198997) Show SMILES CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1 Show InChI InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	25	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50475526 (CHEMBL198467) Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H22O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21/h7-14H,2-6H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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 RARbeta2				J Med Chem 48: 7517-9 (2005) Article DOI: 10.1021/jm050891r BindingDB Entry DOI: 10.7270/Q26M39JQ
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50052414 (4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	n/a	6.30	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50475527 (CHEMBL197292) Show SMILES CCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H20O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	16	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50413261 (AC-55649 | CHEMBL425027) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50413261 (AC-55649 | CHEMBL425027) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	126	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50475526 (CHEMBL198467) Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H22O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21/h7-14H,2-6H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50475527 (CHEMBL197292) Show SMILES CCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H20O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50475528 (CHEMBL365798) Show SMILES CCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50413267 (CHEMBL371684) Show SMILES CCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50413267 (CHEMBL371684) Show SMILES CCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	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
					More data for this Ligand-Target Pair