BDBM141379 US8916600, 13::US9738632, Example 13

SMILES: C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1

InChI Key: InChIKey=BHIQUIYSVRULQI-BGOLNKOXSA-N

Data: 11 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 11 hits for monomerid = 141379   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.817	n/a	n/a	n/a	n/a	7.4	25
Astrazeneca AB; Bayer Pharma Aktiengesellschaft US Patent					Assay Description In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 uM. ...				US Patent US8916600 (2014) BindingDB Entry DOI: 10.7270/Q2WQ02HG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.817	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB; Bayer Pharma Aktiengesellschaft US Patent					Assay Description In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...				US Patent US9738632 (2017) BindingDB Entry DOI: 10.7270/Q2057J12
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone from N terminal maltose binding protein tagged human mineralocorticoid receptor LBD (726 to 984 residues) expressed ...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone labelled PL Red from human recombinant progesterone receptor after 1 to 6 hrs ligand by fluorescence polarization assay				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone labelled EL Red from human recombinant estrogen receptor alpha after 1 to 5 hrs by fluorescence polarization assay				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone labelled EL Red from human recombinant estrogen receptor beta after 1 to 5 hrs by fluorescence polarization assay				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone labelled GS Red from human recombinant glucocorticoid receptor after 2 hrs by fluorescence polarization assay				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Androgen Receptor (Rattus norvegicus (Rat))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone labelled AL green from rat recombinant His/GST-tagged androgen receptor LBD after 4 to 6 hrs by fluorescence polarization a...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair