BDBM50355729 CHEMBL1911280

SMILES: CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)Nc1nncs1

InChI Key: InChIKey=KQCIVCUQISQLIX-DEOSSOPVSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50355729   

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))	BDBM50355729 (CHEMBL1911280) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C29H26FN5O3S/c1-29(2,27(37)33-28-34-31-16-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(32-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35/h3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,33,34,37)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.96	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 Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay				J Med Chem 54: 7318-33 (2011) Article DOI: 10.1021/jm200879j BindingDB Entry DOI: 10.7270/Q2W0969M
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50355729 (CHEMBL1911280) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C29H26FN5O3S/c1-29(2,27(37)33-28-34-31-16-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(32-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35/h3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,33,34,37)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	29.2	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor alpha in IL-1beta-stimulated human A549 cells assessed as inhibition of NFkappaB-dependent E-sele...				J Med Chem 54: 7318-33 (2011) Article DOI: 10.1021/jm200879j BindingDB Entry DOI: 10.7270/Q2W0969M
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50355729 (CHEMBL1911280) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C29H26FN5O3S/c1-29(2,27(37)33-28-34-31-16-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(32-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35/h3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,33,34,37)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	389	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transactivation activity at glucocorticoid receptor alpha human 13D3/Huh7 cells assessed as induction of TAT activity after 4 hrs by spectrophotometr...				J Med Chem 54: 7318-33 (2011) Article DOI: 10.1021/jm200879j BindingDB Entry DOI: 10.7270/Q2W0969M
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50355729 (CHEMBL1911280) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C29H26FN5O3S/c1-29(2,27(37)33-28-34-31-16-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(32-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35/h3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,33,34,37)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	205	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transactivation activity at GR-alpha in human NP1 Hela cells assessed as inhibition of GAL4-DBD after 20 hrs by luciferase reporter gene assay				J Med Chem 54: 7318-33 (2011) Article DOI: 10.1021/jm200879j BindingDB Entry DOI: 10.7270/Q2W0969M
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50355729 (CHEMBL1911280) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C29H26FN5O3S/c1-29(2,27(37)33-28-34-31-16-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(32-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35/h3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,33,34,37)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	177	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transactivation activity at GR-alpha in human NP1 Hela cells assessed as induction of GAL4-DBD after 20 hrs by luciferase reporter gene assay				J Med Chem 54: 7318-33 (2011) Article DOI: 10.1021/jm200879j BindingDB Entry DOI: 10.7270/Q2W0969M
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50355729 (CHEMBL1911280) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C29H26FN5O3S/c1-29(2,27(37)33-28-34-31-16-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(32-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35/h3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,33,34,37)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor alpha in phorbol myristate acetate-stimulated human A549 cells assessed as inhibition of AP1 resp...				J Med Chem 54: 7318-33 (2011) Article DOI: 10.1021/jm200879j BindingDB Entry DOI: 10.7270/Q2W0969M
					More data for this Ligand-Target Pair