BDBM50009584 CHEMBL3234863

SMILES: C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=IYSJAKSFBLSTEX-ACSYHNTCSA-N

Data: 9 IC50

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 9 hits for monomerid = 50009584   

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
Androgen receptor (Homo sapiens (Human))	BDBM50009584 (CHEMBL3234863) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25N3O4/c1-20(22-13-7-3-8-14-22)32-26(33)29(36-27(32)34,19-21-11-5-2-6-12-21)25-31-30-24(35-25)28(17-18-28)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3/t20-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of androgen receptor (unknown origin)				Bioorg Med Chem Lett 24: 1681-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.057 BindingDB Entry DOI: 10.7270/Q2N87C9H
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50009584 (CHEMBL3234863) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25N3O4/c1-20(22-13-7-3-8-14-22)32-26(33)29(36-27(32)34,19-21-11-5-2-6-12-21)25-31-30-24(35-25)28(17-18-28)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3/t20-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor (unknown origin)				Bioorg Med Chem Lett 24: 1681-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.057 BindingDB Entry DOI: 10.7270/Q2N87C9H
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50009584 (CHEMBL3234863) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25N3O4/c1-20(22-13-7-3-8-14-22)32-26(33)29(36-27(32)34,19-21-11-5-2-6-12-21)25-31-30-24(35-25)28(17-18-28)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3/t20-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of glucocorticoid receptor (unknown origin)				Bioorg Med Chem Lett 24: 1681-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.057 BindingDB Entry DOI: 10.7270/Q2N87C9H
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50009584 (CHEMBL3234863) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25N3O4/c1-20(22-13-7-3-8-14-22)32-26(33)29(36-27(32)34,19-21-11-5-2-6-12-21)25-31-30-24(35-25)28(17-18-28)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3/t20-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of progesterone receptor (unknown origin)				Bioorg Med Chem Lett 24: 1681-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.057 BindingDB Entry DOI: 10.7270/Q2N87C9H
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50009584 (CHEMBL3234863) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25N3O4/c1-20(22-13-7-3-8-14-22)32-26(33)29(36-27(32)34,19-21-11-5-2-6-12-21)25-31-30-24(35-25)28(17-18-28)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3/t20-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at mineralocorticoid receptor (unknown origin) by PathHunter assay				Bioorg Med Chem Lett 24: 1681-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.057 BindingDB Entry DOI: 10.7270/Q2N87C9H
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50009584 (CHEMBL3234863) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25N3O4/c1-20(22-13-7-3-8-14-22)32-26(33)29(36-27(32)34,19-21-11-5-2-6-12-21)25-31-30-24(35-25)28(17-18-28)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3/t20-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 24: 1681-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.057 BindingDB Entry DOI: 10.7270/Q2N87C9H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50009584 (CHEMBL3234863) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25N3O4/c1-20(22-13-7-3-8-14-22)32-26(33)29(36-27(32)34,19-21-11-5-2-6-12-21)25-31-30-24(35-25)28(17-18-28)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3/t20-,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 24: 1681-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.057 BindingDB Entry DOI: 10.7270/Q2N87C9H
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50009584 (CHEMBL3234863) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25N3O4/c1-20(22-13-7-3-8-14-22)32-26(33)29(36-27(32)34,19-21-11-5-2-6-12-21)25-31-30-24(35-25)28(17-18-28)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3/t20-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 24: 1681-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.057 BindingDB Entry DOI: 10.7270/Q2N87C9H
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50009584 (CHEMBL3234863) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H25N3O4/c1-20(22-13-7-3-8-14-22)32-26(33)29(36-27(32)34,19-21-11-5-2-6-12-21)25-31-30-24(35-25)28(17-18-28)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3/t20-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ERG (unknown origin)				Bioorg Med Chem Lett 24: 1681-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.057 BindingDB Entry DOI: 10.7270/Q2N87C9H
					More data for this Ligand-Target Pair