BDBM221232 US9303015, 6a::US9303015, 6b::US9303015, 6c

SMILES: CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F

InChI Key: InChIKey=LFUGPNMUNFREIQ-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 = 221232   

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))	BDBM221232 (US9303015, 6a | US9303015, 6b | US9303015, 6c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H27ClF3N5O2/c1-4-39(5-2)28-27(41-21-9-7-6-8-10-21)26(31)22-15-19(11-13-23(22)37-28)29(40,25-17-35-18-38(25)3)20-12-14-24(36-16-20)30(32,33)34/h6-18,40H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	170	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))	BDBM221232 (US9303015, 6a | US9303015, 6b | US9303015, 6c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H27ClF3N5O2/c1-4-39(5-2)28-27(41-21-9-7-6-8-10-21)26(31)22-15-19(11-13-23(22)37-28)29(40,25-17-35-18-38(25)3)20-12-14-24(36-16-20)30(32,33)34/h6-18,40H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	85	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))	BDBM221232 (US9303015, 6a | US9303015, 6b | US9303015, 6c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H27ClF3N5O2/c1-4-39(5-2)28-27(41-21-9-7-6-8-10-21)26(31)22-15-19(11-13-23(22)37-28)29(40,25-17-35-18-38(25)3)20-12-14-24(36-16-20)30(32,33)34/h6-18,40H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8.30	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))	BDBM221232 (US9303015, 6a | US9303015, 6b | US9303015, 6c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H27ClF3N5O2/c1-4-39(5-2)28-27(41-21-9-7-6-8-10-21)26(31)22-15-19(11-13-23(22)37-28)29(40,25-17-35-18-38(25)3)20-12-14-24(36-16-20)30(32,33)34/h6-18,40H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	270	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))	BDBM221232 (US9303015, 6a | US9303015, 6b | US9303015, 6c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H27ClF3N5O2/c1-4-39(5-2)28-27(41-21-9-7-6-8-10-21)26(31)22-15-19(11-13-23(22)37-28)29(40,25-17-35-18-38(25)3)20-12-14-24(36-16-20)30(32,33)34/h6-18,40H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	51	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))	BDBM221232 (US9303015, 6a | US9303015, 6b | US9303015, 6c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H27ClF3N5O2/c1-4-39(5-2)28-27(41-21-9-7-6-8-10-21)26(31)22-15-19(11-13-23(22)37-28)29(40,25-17-35-18-38(25)3)20-12-14-24(36-16-20)30(32,33)34/h6-18,40H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	81	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