BDBM141367 US8916600, 1::US8916600, 4::US9738632, Example 1

SMILES: C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1

InChI Key: InChIKey=VPLFURZOENDKIP-IFCAXNDLSA-N

Data: 5 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 5 hits for monomerid = 141367   

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))	BDBM141367 (US8916600, 1 | US8916600, 4 | US9738632, Example 1) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/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	1.32	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))	BDBM141367 (US8916600, 1 | US8916600, 4 | US9738632, Example 1) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/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	1.40	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))	BDBM141367 (US8916600, 1 | US8916600, 4 | US9738632, Example 1) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/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	1.40	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))	BDBM141367 (US8916600, 1 | US8916600, 4 | US9738632, Example 1) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/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	0.210	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))	BDBM141367 (US8916600, 1 | US8916600, 4 | US9738632, Example 1) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/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	1.32	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