BDBM221229 US9303015, 3a::US9303015, 3b::US9303015, 3c

SMILES: CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1

InChI Key: InChIKey=QSNQBKVAYOUNKI-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 = 221229   

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))	BDBM221229 (US9303015, 3a | US9303015, 3b | US9303015, 3c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H28Cl2N4O2/c1-4-36(5-2)29-28(38-23-9-7-6-8-10-23)27(32)24-17-21(13-16-25(24)34-29)30(37,26-18-33-19-35(26)3)20-11-14-22(31)15-12-20/h6-19,37H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	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))	BDBM221229 (US9303015, 3a | US9303015, 3b | US9303015, 3c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H28Cl2N4O2/c1-4-36(5-2)29-28(38-23-9-7-6-8-10-23)27(32)24-17-21(13-16-25(24)34-29)30(37,26-18-33-19-35(26)3)20-11-14-22(31)15-12-20/h6-19,37H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40E+3	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))	BDBM221229 (US9303015, 3a | US9303015, 3b | US9303015, 3c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H28Cl2N4O2/c1-4-36(5-2)29-28(38-23-9-7-6-8-10-23)27(32)24-17-21(13-16-25(24)34-29)30(37,26-18-33-19-35(26)3)20-11-14-22(31)15-12-20/h6-19,37H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	17	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))	BDBM221229 (US9303015, 3a | US9303015, 3b | US9303015, 3c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H28Cl2N4O2/c1-4-36(5-2)29-28(38-23-9-7-6-8-10-23)27(32)24-17-21(13-16-25(24)34-29)30(37,26-18-33-19-35(26)3)20-11-14-22(31)15-12-20/h6-19,37H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	59	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))	BDBM221229 (US9303015, 3a | US9303015, 3b | US9303015, 3c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H28Cl2N4O2/c1-4-36(5-2)29-28(38-23-9-7-6-8-10-23)27(32)24-17-21(13-16-25(24)34-29)30(37,26-18-33-19-35(26)3)20-11-14-22(31)15-12-20/h6-19,37H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	320	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))	BDBM221229 (US9303015, 3a | US9303015, 3b | US9303015, 3c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H28Cl2N4O2/c1-4-36(5-2)29-28(38-23-9-7-6-8-10-23)27(32)24-17-21(13-16-25(24)34-29)30(37,26-18-33-19-35(26)3)20-11-14-22(31)15-12-20/h6-19,37H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	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