BDBM221257 US9303015, 31a::US9303015, 31b::US9303015, 31c

SMILES: Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1

InChI Key: InChIKey=HGMJOSNOVDDGAZ-UHFFFAOYSA-N

Data: 3 IC50  3 Kd

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 = 221257   

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
Retinoic acid-related nuclear receptor gamma t (RORγt) (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.60	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt) (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	14	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt) (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt) (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt) (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Retinoic acid-related nuclear receptor gamma t (RORγt) (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.720	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description ThermoFluor® experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensio...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair