Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 399.3 BDBM50531572

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

Found 3 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))	BDBM50531572 (CHEMBL4470268) Show SMILES NC(=O)C[C@H]1COCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C20H18FN3O5/c21-13-2-3-16-12(5-13)8-28-9-14(7-18(22)25)24(16)20(27)11-1-4-17-15(6-11)23-19(26)10-29-17/h1-6,14H,7-10H2,(H2,22,25)(H,23,26)/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))	BDBM50531572 (CHEMBL4470268) Show SMILES NC(=O)C[C@H]1COCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C20H18FN3O5/c21-13-2-3-16-12(5-13)8-28-9-14(7-18(22)25)24(16)20(27)11-1-4-17-15(6-11)23-19(26)10-29-17/h1-6,14H,7-10H2,(H2,22,25)(H,23,26)/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
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531572 (CHEMBL4470268) Show SMILES NC(=O)C[C@H]1COCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C20H18FN3O5/c21-13-2-3-16-12(5-13)8-28-9-14(7-18(22)25)24(16)20(27)11-1-4-17-15(6-11)23-19(26)10-29-17/h1-6,14H,7-10H2,(H2,22,25)(H,23,26)/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