BDBM50290180 4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylethynyl)-benzoic acid::CHEMBL75741

SMILES: CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O

InChI Key: InChIKey=SIQAHEVWLUDACF-UHFFFAOYSA-N

Data: 2 Kd  2 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 4 hits for monomerid = 50290180   

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 beta (Homo sapiens (Human))	BDBM50290180 (4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...) Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Transactivation potency of the compound was determined for Retinoic acid receptor gamma				Bioorg Med Chem Lett 7: 2373-2378 (1997) Article DOI: 10.1016/S0960-894X(97)00435-6 BindingDB Entry DOI: 10.7270/Q2K35TN8
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50290180 (4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...) Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Transactivation potency of the compound was determined for Retinoic acid receptor gamma				Bioorg Med Chem Lett 7: 2373-2378 (1997) Article DOI: 10.1016/S0960-894X(97)00435-6 BindingDB Entry DOI: 10.7270/Q2K35TN8
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Homo sapiens (Human))	BDBM50290180 (4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...) Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Transactivation potency of the compound was determined for Retinoic acid receptor beta				Bioorg Med Chem Lett 7: 2373-2378 (1997) Article DOI: 10.1016/S0960-894X(97)00435-6 BindingDB Entry DOI: 10.7270/Q2K35TN8
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Homo sapiens (Human))	BDBM50290180 (4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-7-ylet...) Show SMILES CC1(C)CCNc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19NO2/c1-20(2)11-12-21-18-13-15(7-10-17(18)20)4-3-14-5-8-16(9-6-14)19(22)23/h5-10,13,21H,11-12H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Retinoic acid receptor gamma				Bioorg Med Chem Lett 7: 2373-2378 (1997) Article DOI: 10.1016/S0960-894X(97)00435-6 BindingDB Entry DOI: 10.7270/Q2K35TN8
					More data for this Ligand-Target Pair