null

SMILES: COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F

InChI Key: InChIKey=VPAFDEDTWDQIJF-AREMUKBSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 339227   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339227 (US10201546, Example 112c | US10201546, Example 191...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339227 (US10201546, Example 112c | US10201546, Example 191...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339227 (US10201546, Example 112c | US10201546, Example 191...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339227 (US10201546, Example 112c | US10201546, Example 191...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339227 (US10201546, Example 112c | US10201546, Example 191...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339227 (US10201546, Example 112c | US10201546, Example 191...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339227 (US10201546, Example 112c | US10201546, Example 191...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair