Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 372.8 BDBM50531579

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531579 (CHEMBL4463126) Show SMILES OCC[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H17ClN2O4/c20-13-2-3-16-12(7-13)8-14(5-6-23)22(16)19(25)11-1-4-17-15(9-11)21-18(24)10-26-17/h1-4,7,9,14,23H,5-6,8,10H2,(H,21,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50531579 (CHEMBL4463126) Show SMILES OCC[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H17ClN2O4/c20-13-2-3-16-12(7-13)8-14(5-6-23)22(16)19(25)11-1-4-17-15(9-11)21-18(24)10-26-17/h1-4,7,9,14,23H,5-6,8,10H2,(H,21,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50531579 (CHEMBL4463126) Show SMILES OCC[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H17ClN2O4/c20-13-2-3-16-12(7-13)8-14(5-6-23)22(16)19(25)11-1-4-17-15(9-11)21-18(24)10-26-17/h1-4,7,9,14,23H,5-6,8,10H2,(H,21,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human progesterone receptor LBD by fluormone PL red-fluorescence polarization assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531579 (CHEMBL4463126) Show SMILES OCC[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H17ClN2O4/c20-13-2-3-16-12(7-13)8-14(5-6-23)22(16)19(25)11-1-4-17-15(9-11)21-18(24)10-26-17/h1-4,7,9,14,23H,5-6,8,10H2,(H,21,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed in UAS-MR-bla HEK293 cells by luciferase reporter gene assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair