BDBM221236 US9303015, 10a::US9303015, 10b::US9303015, 10c

SMILES: CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1

InChI Key: InChIKey=RCZIUKXBTCTDBV-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 = 221236   

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))	BDBM221236 (US9303015, 10a | US9303015, 10b | US9303015, 10c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C28H25ClN4O4/c1-4-36-27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(34,23-16-30-17-33(23)2)19-11-13-24(35-3)31-15-19/h5-17,34H,4H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8.5	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))	BDBM221236 (US9303015, 10a | US9303015, 10b | US9303015, 10c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C28H25ClN4O4/c1-4-36-27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(34,23-16-30-17-33(23)2)19-11-13-24(35-3)31-15-19/h5-17,34H,4H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.40	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))	BDBM221236 (US9303015, 10a | US9303015, 10b | US9303015, 10c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C28H25ClN4O4/c1-4-36-27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(34,23-16-30-17-33(23)2)19-11-13-24(35-3)31-15-19/h5-17,34H,4H2,1-3H3	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))	BDBM221236 (US9303015, 10a | US9303015, 10b | US9303015, 10c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C28H25ClN4O4/c1-4-36-27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(34,23-16-30-17-33(23)2)19-11-13-24(35-3)31-15-19/h5-17,34H,4H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	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))	BDBM221236 (US9303015, 10a | US9303015, 10b | US9303015, 10c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C28H25ClN4O4/c1-4-36-27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(34,23-16-30-17-33(23)2)19-11-13-24(35-3)31-15-19/h5-17,34H,4H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	92	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))	BDBM221236 (US9303015, 10a | US9303015, 10b | US9303015, 10c) Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(OC)nc1 Show InChI InChI=1S/C28H25ClN4O4/c1-4-36-27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(34,23-16-30-17-33(23)2)19-11-13-24(35-3)31-15-19/h5-17,34H,4H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	39	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