BindingDB PrimarySearch

BDBM50151072 (4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-[3-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hydroxy-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-17-yl]phenyl}(methyl)amino)propyl]-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid::CHEMBL440251

SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](CCCN(C)c5ccc(cc5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI Key: InChIKey=QIWQUMBYZAMEPN-NFCXHWEESA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50151072
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50151072 ((4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor				J Med Chem 47: 4213-30 (2004) Article DOI: 10.1021/jm0400045 BindingDB Entry DOI: 10.7270/Q22N532T
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50151072 ((4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human progesterone receptor				J Med Chem 47: 4213-30 (2004) Article DOI: 10.1021/jm0400045 BindingDB Entry DOI: 10.7270/Q22N532T
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50151072 ((4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Estrogen receptor alpha				J Med Chem 47: 4213-30 (2004) Article DOI: 10.1021/jm0400045 BindingDB Entry DOI: 10.7270/Q22N532T
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50151072 ((4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Estrogen receptor beta				J Med Chem 47: 4213-30 (2004) Article DOI: 10.1021/jm0400045 BindingDB Entry DOI: 10.7270/Q22N532T
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50151072 ((4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of glucocorticoid receptor dependent alkaline phosphatase activity				J Med Chem 47: 4213-30 (2004) Article DOI: 10.1021/jm0400045 BindingDB Entry DOI: 10.7270/Q22N532T
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50151072 ((4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human androgen receptor				J Med Chem 47: 4213-30 (2004) Article DOI: 10.1021/jm0400045 BindingDB Entry DOI: 10.7270/Q22N532T
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50151072 ((4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of glucocorticoid receptor mediated tyrosine amino transferase activity				J Med Chem 47: 4213-30 (2004) Article DOI: 10.1021/jm0400045 BindingDB Entry DOI: 10.7270/Q22N532T
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50151072 ((4R)-4-[(1S,2S,5R,6R,7R,9R,10R,11S,14R,15R,16S)-6-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Mineralocorticoid receptor				J Med Chem 47: 4213-30 (2004) Article DOI: 10.1021/jm0400045 BindingDB Entry DOI: 10.7270/Q22N532T
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair