BDBM50048336 CHEMBL3315058::US9593113, Example 22

SMILES: CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1

InChI Key: InChIKey=IBQBUMWHRZHHHX-DEOSSOPVSA-N

Data: 3 KI  4 EC50

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 7 hits for monomerid = 50048336   

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))	BDBM50048336 (CHEMBL3315058 | US9593113, Example 22) Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048336 (CHEMBL3315058 | US9593113, Example 22) Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50048336 (CHEMBL3315058 | US9593113, Example 22) Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048336 (CHEMBL3315058 | US9593113, Example 22) Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human whole blood assessed as inhibition of LPS-induced TNF production incubated for 20 hrs prior to L...				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048336 (CHEMBL3315058 | US9593113, Example 22) Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	241	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human HeLa cells assessed as NP-1 transactivation by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048336 (CHEMBL3315058 | US9593113, Example 22) Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells assessed as AP-1 transrepression by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048336 (CHEMBL3315058 | US9593113, Example 22) Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells assessed as E-selectin transrepression by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair