BDBM50097824 4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-1-ynyl]-benzoic acid::CHEMBL151870

SMILES: CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1

InChI Key: InChIKey=BNVDMMYUHOFRII-WEVVVXLNSA-N

Data: 3 Kd  7 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50097824   

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))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	10	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 alpha (Homo sapiens (Human))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity towards retinoic acid receptor alpha 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 beta (Homo sapiens (Human))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity towards retinoic acid receptor beta 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))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	598	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Transcriptional activation of retinoic acid receptor RAR alpha				Bioorg Med Chem Lett 5: 523-527 (1995) Article DOI: 10.1016/0960-894X(95)00065-2 BindingDB Entry DOI: 10.7270/Q20G3K4D
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Allergan Inc Curated by ChEMBL					Assay Description Binding affinity towards retinoic acid receptor alpha 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 RXR-alpha (Homo sapiens (Human))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Transcriptional activation of retinoid X receptor RXR alpha; not active				Bioorg Med Chem Lett 5: 523-527 (1995) Article DOI: 10.1016/0960-894X(95)00065-2 BindingDB Entry DOI: 10.7270/Q20G3K4D
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Transcriptional activation of retinoic acid receptor RAR gamma				Bioorg Med Chem Lett 5: 523-527 (1995) Article DOI: 10.1016/0960-894X(95)00065-2 BindingDB Entry DOI: 10.7270/Q20G3K4D
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	190	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 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))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	435	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 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))	BDBM50097824 (4-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-e...) Show SMILES CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H22O2/c1-15-7-6-14-20(2,3)18(15)9-5-4-8-16-10-12-17(13-11-16)19(21)22/h5,9-13H,6-7,14H2,1-3H3,(H,21,22)/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Transcriptional activation of retinoic acid receptor RAR beta				Bioorg Med Chem Lett 5: 523-527 (1995) Article DOI: 10.1016/0960-894X(95)00065-2 BindingDB Entry DOI: 10.7270/Q20G3K4D
					More data for this Ligand-Target Pair