BDBM50338312 (+/-)-(3R,4S)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile::CHEMBL1682429

SMILES: C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(C#N)c12

InChI Key: InChIKey=WHYJKLKNLKBEKQ-YEJXKQKISA-N

Data: 1 KI  2 IC50  1 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 = 50338312   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50338312 ((+/-)-(3R,4S)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-...) Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(C#N)c12 |r| Show InChI InChI=1S/C22H23N3O/c1-12-10-16(15-7-5-6-14-8-9-24-20(14)15)17(11-23)18-13(2)21(26)22(3,4)25-19(12)18/h5-10,13,21,24-26H,1-4H3/t13-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from GR				Bioorg Med Chem Lett 21: 1697-700 (2011) Article DOI: 10.1016/j.bmcl.2011.01.093 BindingDB Entry DOI: 10.7270/Q2639Q12
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50338312 ((+/-)-(3R,4S)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-...) Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(C#N)c12 |r| Show InChI InChI=1S/C22H23N3O/c1-12-10-16(15-7-5-6-14-8-9-24-20(14)15)17(11-23)18-13(2)21(26)22(3,4)25-19(12)18/h5-10,13,21,24-26H,1-4H3/t13-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.60	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ...				Bioorg Med Chem Lett 21: 1697-700 (2011) Article DOI: 10.1016/j.bmcl.2011.01.093 BindingDB Entry DOI: 10.7270/Q2639Q12
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50338312 ((+/-)-(3R,4S)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-...) Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(C#N)c12 |r| Show InChI InChI=1S/C22H23N3O/c1-12-10-16(15-7-5-6-14-8-9-24-20(14)15)17(11-23)18-13(2)21(26)22(3,4)25-19(12)18/h5-10,13,21,24-26H,1-4H3/t13-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human GR expressed in NHDF cells assessed as inhibition of IL-6 production by ELISA relative to dexamethasone				Bioorg Med Chem Lett 21: 1697-700 (2011) Article DOI: 10.1016/j.bmcl.2011.01.093 BindingDB Entry DOI: 10.7270/Q2639Q12
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50338312 ((+/-)-(3R,4S)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-...) Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(C#N)c12 |r| Show InChI InChI=1S/C22H23N3O/c1-12-10-16(15-7-5-6-14-8-9-24-20(14)15)17(11-23)18-13(2)21(26)22(3,4)25-19(12)18/h5-10,13,21,24-26H,1-4H3/t13-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at GR expressed in IL-1beta- and TNFalpha-stimulated HepG2 cells assessed as inhibition of NFKB- or AP-1 mediated E-selectin transcr...				Bioorg Med Chem Lett 21: 1697-700 (2011) Article DOI: 10.1016/j.bmcl.2011.01.093 BindingDB Entry DOI: 10.7270/Q2639Q12
					More data for this Ligand-Target Pair