BindingDB PrimarySearch

BDBM50050083 CHEMBL3317833::US9216988, 101

SMILES: CC(C)CN(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=CYRKYCCPWKLCDV-UHFFFAOYSA-N

Data: 1 IC50 8 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50050083
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50050083 (CHEMBL3317833 \| US9216988, 101) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	7.4	n/a
Genentech, Inc. US Patent					Assay Description On day of the assay, 100 uL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash bu...				US Patent US9216988 (2015) BindingDB Entry DOI: 10.7270/Q2TB15QC
Genentech, Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50050083 (CHEMBL3317833 \| US9216988, 101) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...				Bioorg Med Chem Lett 24: 3891-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.048 BindingDB Entry DOI: 10.7270/Q2CR5W1Q
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50050083 (CHEMBL3317833 \| US9216988, 101) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-g...				Bioorg Med Chem Lett 24: 3891-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.048 BindingDB Entry DOI: 10.7270/Q2CR5W1Q
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM50050083 (CHEMBL3317833 \| US9216988, 101) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-g...				Bioorg Med Chem Lett 24: 3891-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.048 BindingDB Entry DOI: 10.7270/Q2CR5W1Q
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50050083 (CHEMBL3317833 \| US9216988, 101) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...				Bioorg Med Chem Lett 24: 3891-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.048 BindingDB Entry DOI: 10.7270/Q2CR5W1Q
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50050083 (CHEMBL3317833 \| US9216988, 101) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...				Bioorg Med Chem Lett 24: 3891-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.048 BindingDB Entry DOI: 10.7270/Q2CR5W1Q
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50050083 (CHEMBL3317833 \| US9216988, 101) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua...				Bioorg Med Chem Lett 24: 3891-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.048 BindingDB Entry DOI: 10.7270/Q2CR5W1Q
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50050083 (CHEMBL3317833 \| US9216988, 101) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual...				Bioorg Med Chem Lett 24: 3891-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.048 BindingDB Entry DOI: 10.7270/Q2CR5W1Q
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50050083 (CHEMBL3317833 \| US9216988, 101) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...				Bioorg Med Chem Lett 24: 3891-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.048 BindingDB Entry DOI: 10.7270/Q2CR5W1Q
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair