BindingDB PrimarySearch

BDBM50005410 CHEMBL139197::CHEMBL2137199

SMILES: OC(c1ccc(c(F)c1)-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=KVHKWAZUPPBMLL-UHFFFAOYSA-N

Data: 1 KI 6 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50005410
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))	BDBM50005410 (CHEMBL139197 \| CHEMBL2137199) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to RORc (unknown origin) by radioligand binding assay				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50005410 (CHEMBL139197 \| CHEMBL2137199) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 78: 431-41 (2014) Article DOI: 10.1016/j.ejmech.2014.03.065 BindingDB Entry DOI: 10.7270/Q2W66N9X
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50005410 (CHEMBL139197 \| CHEMBL2137199) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...				Eur J Med Chem 78: 431-41 (2014) Article DOI: 10.1016/j.ejmech.2014.03.065 BindingDB Entry DOI: 10.7270/Q2W66N9X
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50005410 (CHEMBL139197 \| CHEMBL2137199) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay				Eur J Med Chem 116: 13-26 (2016) BindingDB Entry DOI: 10.7270/Q2TT4SVK
Jilin University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50005410 (CHEMBL139197 \| CHEMBL2137199) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at RoRc-LBD (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 reporter assay				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50005410 (CHEMBL139197 \| CHEMBL2137199) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in E...				Eur J Med Chem 116: 13-26 (2016) BindingDB Entry DOI: 10.7270/Q2TT4SVK
Jilin University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50005410 (CHEMBL139197 \| CHEMBL2137199) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 78: 431-41 (2014) Article DOI: 10.1016/j.ejmech.2014.03.065 BindingDB Entry DOI: 10.7270/Q2W66N9X
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50005410 (CHEMBL139197 \| CHEMBL2137199) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]T0901317 from human RoRc expressed in HepG2 cells by scintillation proximity binding assay				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)