BDBM50531570 CHEMBL4556735

SMILES: Cc1ccc2N(C(=O)c3ccc4OCC(=O)Nc4c3)[C@@](C)(CS(C)(=O)=O)COc2c1

InChI Key: InChIKey=AXOMYVRKJFDZJX-OAQYLSRUSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50531570   

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
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531570 (CHEMBL4556735) Show SMILES Cc1ccc2N(C(=O)c3ccc4OCC(=O)Nc4c3)[C@@](C)(CS(C)(=O)=O)COc2c1 |r| Show InChI InChI=1S/C21H22N2O6S/c1-13-4-6-16-18(8-13)29-11-21(2,12-30(3,26)27)23(16)20(25)14-5-7-17-15(9-14)22-19(24)10-28-17/h4-9H,10-12H2,1-3H3,(H,22,24)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50531570 (CHEMBL4556735) Show SMILES Cc1ccc2N(C(=O)c3ccc4OCC(=O)Nc4c3)[C@@](C)(CS(C)(=O)=O)COc2c1 |r| Show InChI InChI=1S/C21H22N2O6S/c1-13-4-6-16-18(8-13)29-11-21(2,12-30(3,26)27)23(16)20(25)14-5-7-17-15(9-14)22-19(24)10-28-17/h4-9H,10-12H2,1-3H3,(H,22,24)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	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
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531570 (CHEMBL4556735) Show SMILES Cc1ccc2N(C(=O)c3ccc4OCC(=O)Nc4c3)[C@@](C)(CS(C)(=O)=O)COc2c1 |r| Show InChI InChI=1S/C21H22N2O6S/c1-13-4-6-16-18(8-13)29-11-21(2,12-30(3,26)27)23(16)20(25)14-5-7-17-15(9-14)22-19(24)10-28-17/h4-9H,10-12H2,1-3H3,(H,22,24)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	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
					More data for this Ligand-Target Pair