Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM359510'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359510 (4-(1-(2-chloro-6- cyclopropylbenzoyl)- 6-(3- metho...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1 Show InChI InChI=1S/C29H27ClFN3O5/c1-39-18-13-33(14-18)27(35)16-7-10-21-24(12-16)34(28(36)25-19(15-5-6-15)3-2-4-22(25)30)32-26(21)20-9-8-17(29(37)38)11-23(20)31/h2-4,8-9,11,15-16,18H,5-7,10,12-14H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359510 (4-(1-(2-chloro-6- cyclopropylbenzoyl)- 6-(3- metho...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1 Show InChI InChI=1S/C29H27ClFN3O5/c1-39-18-13-33(14-18)27(35)16-7-10-21-24(12-16)34(28(36)25-19(15-5-6-15)3-2-4-22(25)30)32-26(21)20-9-8-17(29(37)38)11-23(20)31/h2-4,8-9,11,15-16,18H,5-7,10,12-14H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair