null

SMILES: CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1

InChI Key: InChIKey=BIPSRDWDLVRJIU-UXBLZVDNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50097821   

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
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50097821 (4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...) Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 towards retinoic acid receptor gamma was determined using [3H]-ATRA (5 nM) as radioligand				Bioorg Med Chem Lett 11: 765-8 (2001) BindingDB Entry DOI: 10.7270/Q2348JN3
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50097821 (4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...) Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha				Bioorg Med Chem Lett 11: 765-8 (2001) BindingDB Entry DOI: 10.7270/Q2348JN3
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50097821 (4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...) Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta				Bioorg Med Chem Lett 11: 765-8 (2001) BindingDB Entry DOI: 10.7270/Q2348JN3
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50097821 (4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...) Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta				Bioorg Med Chem Lett 11: 765-8 (2001) BindingDB Entry DOI: 10.7270/Q2348JN3
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50097821 (4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...) Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor gamma				Bioorg Med Chem Lett 11: 765-8 (2001) BindingDB Entry DOI: 10.7270/Q2348JN3
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50097821 (4-{(E)-4-[2-(4-Ethyl-phenyl)-6,6-dimethyl-cyclohex...) Show SMILES CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9| Show InChI InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta				Bioorg Med Chem Lett 11: 765-8 (2001) BindingDB Entry DOI: 10.7270/Q2348JN3
					More data for this Ligand-Target Pair