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 = 'BDBM220186'   

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))	BDBM220186 (US9290476, 29A | US9290476, 29B | US9290476, 29C) Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C32H26ClF3N6O2/c1-19-13-22(31(43,27-17-37-18-41(27)2)21-7-10-26(38-16-21)32(34,35)36)15-24-28(33)25(30(44-3)40-29(19)24)14-20-5-8-23(9-6-20)42-12-4-11-39-42/h4-13,15-18,43H,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.80	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))	BDBM220186 (US9290476, 29A | US9290476, 29B | US9290476, 29C) Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C32H26ClF3N6O2/c1-19-13-22(31(43,27-17-37-18-41(27)2)21-7-10-26(38-16-21)32(34,35)36)15-24-28(33)25(30(44-3)40-29(19)24)14-20-5-8-23(9-6-20)42-12-4-11-39-42/h4-13,15-18,43H,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.90	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))	BDBM220186 (US9290476, 29A | US9290476, 29B | US9290476, 29C) Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C32H26ClF3N6O2/c1-19-13-22(31(43,27-17-37-18-41(27)2)21-7-10-26(38-16-21)32(34,35)36)15-24-28(33)25(30(44-3)40-29(19)24)14-20-5-8-23(9-6-20)42-12-4-11-39-42/h4-13,15-18,43H,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	93	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