Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isoform 2 of Nuclear receptor ROR-gamma (RORgT)' and Ligand = 'BDBM220251'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM220251 (US9290476, 96A | US9290476, 96B | US9290476, 96C) Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C31H22F3N5O2/c1-39-18-37-17-28(39)30(40,21-7-5-20(15-35)6-8-21)23-11-12-27-24(14-23)26(16-36)25(29(38-27)41-2)13-19-3-9-22(10-4-19)31(32,33)34/h3-12,14,17-18,40H,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.90	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...				US Patent US9290476 (2016) BindingDB Entry DOI: 10.7270/Q2M61J3M
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM220251 (US9290476, 96A | US9290476, 96B | US9290476, 96C) Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C31H22F3N5O2/c1-39-18-37-17-28(39)30(40,21-7-5-20(15-35)6-8-21)23-11-12-27-24(14-23)26(16-36)25(29(38-27)41-2)13-19-3-9-22(10-4-19)31(32,33)34/h3-12,14,17-18,40H,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.20	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...				US Patent US9290476 (2016) BindingDB Entry DOI: 10.7270/Q2M61J3M
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM220251 (US9290476, 96A | US9290476, 96B | US9290476, 96C) Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C31H22F3N5O2/c1-39-18-37-17-28(39)30(40,21-7-5-20(15-35)6-8-21)23-11-12-27-24(14-23)26(16-36)25(29(38-27)41-2)13-19-3-9-22(10-4-19)31(32,33)34/h3-12,14,17-18,40H,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	48	n/a	n/a	n/a	7.0	1
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...				US Patent US9290476 (2016) BindingDB Entry DOI: 10.7270/Q2M61J3M
					More data for this Ligand-Target Pair