BDBM221235 US9303015, 9a::US9303015, 9b::US9303015, 9c

SMILES: CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F

InChI Key: InChIKey=AXVBVFNCJWQPMU-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 = 221235   

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))	BDBM221235 (US9303015, 9a | US9303015, 9b | US9303015, 9c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N5O2/c1-4-40(5-2)28-27(42-21-10-8-20(32)9-11-21)26(31)22-14-18(6-12-23(22)38-28)29(41,25-16-36-17-39(25)3)19-7-13-24(37-15-19)30(33,34)35/h6-17,41H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	33	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))	BDBM221235 (US9303015, 9a | US9303015, 9b | US9303015, 9c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N5O2/c1-4-40(5-2)28-27(42-21-10-8-20(32)9-11-21)26(31)22-14-18(6-12-23(22)38-28)29(41,25-16-36-17-39(25)3)19-7-13-24(37-15-19)30(33,34)35/h6-17,41H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	81	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))	BDBM221235 (US9303015, 9a | US9303015, 9b | US9303015, 9c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N5O2/c1-4-40(5-2)28-27(42-21-10-8-20(32)9-11-21)26(31)22-14-18(6-12-23(22)38-28)29(41,25-16-36-17-39(25)3)19-7-13-24(37-15-19)30(33,34)35/h6-17,41H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66	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))	BDBM221235 (US9303015, 9a | US9303015, 9b | US9303015, 9c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N5O2/c1-4-40(5-2)28-27(42-21-10-8-20(32)9-11-21)26(31)22-14-18(6-12-23(22)38-28)29(41,25-16-36-17-39(25)3)19-7-13-24(37-15-19)30(33,34)35/h6-17,41H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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))	BDBM221235 (US9303015, 9a | US9303015, 9b | US9303015, 9c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N5O2/c1-4-40(5-2)28-27(42-21-10-8-20(32)9-11-21)26(31)22-14-18(6-12-23(22)38-28)29(41,25-16-36-17-39(25)3)19-7-13-24(37-15-19)30(33,34)35/h6-17,41H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	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))	BDBM221235 (US9303015, 9a | US9303015, 9b | US9303015, 9c) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N5O2/c1-4-40(5-2)28-27(42-21-10-8-20(32)9-11-21)26(31)22-14-18(6-12-23(22)38-28)29(41,25-16-36-17-39(25)3)19-7-13-24(37-15-19)30(33,34)35/h6-17,41H,4-5H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8	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