BDBM329646 (R)-2-((S)-7-ethyl-6-((trans-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamido)-2-(4-(ethylsulfonyl)phenyl)ethyl carbamate ::US9663515, Compound 2

SMILES: CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC

InChI Key: InChIKey=JHMLAERBBAUQLA-DMGDPNCRSA-N

Data: 2 KI

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 2 hits for monomerid = 329646   

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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM329646 ((R)-2-((S)-7-ethyl-6-((trans-4-(trifluoromethyl)cy...) Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC |r,wU:25.27,8.11,wD:2.1,5.4,(-1.61,-24.6,;-.1,-24.28,;.38,-22.82,;-.53,-21.57,;-2.07,-21.57,;-2.84,-20.24,;-2.07,-18.91,;-2.84,-17.57,;-4.38,-17.57,;-5.15,-18.91,;-4.38,-20.24,;-5.15,-16.24,;-4.38,-14.9,;-6.69,-16.24,;-5.92,-14.9,;.38,-20.33,;1.84,-20.8,;3.17,-20.03,;4.51,-20.8,;4.51,-22.34,;3.17,-23.11,;1.84,-22.34,;5.84,-20.03,;5.84,-18.49,;7.18,-20.8,;8.51,-20.03,;8.51,-18.49,;9.84,-17.72,;9.84,-16.07,;11.27,-15.25,;8.41,-15.25,;9.84,-20.8,;9.84,-22.34,;11.18,-23.11,;12.51,-22.34,;12.51,-20.8,;11.18,-20.03,;13.84,-23.11,;13.02,-24.54,;14.67,-24.54,;15.27,-22.29,;16.7,-23.11,)| Show InChI InChI=1S/C29H37F3N4O5S/c1-3-25-26-21(16-36(25)15-18-5-9-22(10-6-18)29(30,31)32)13-20(14-34-26)27(37)35-24(17-41-28(33)38)19-7-11-23(12-8-19)42(39,40)4-2/h7-8,11-14,18,22,24-25H,3-6,9-10,15-17H2,1-2H3,(H2,33,38)(H,35,37)/t18-,22-,24-,25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...				US Patent US11001583 (2021)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM329646 ((R)-2-((S)-7-ethyl-6-((trans-4-(trifluoromethyl)cy...) Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC |r,wU:25.27,8.11,wD:2.1,5.4,(-1.61,-24.6,;-.1,-24.28,;.38,-22.82,;-.53,-21.57,;-2.07,-21.57,;-2.84,-20.24,;-2.07,-18.91,;-2.84,-17.57,;-4.38,-17.57,;-5.15,-18.91,;-4.38,-20.24,;-5.15,-16.24,;-4.38,-14.9,;-6.69,-16.24,;-5.92,-14.9,;.38,-20.33,;1.84,-20.8,;3.17,-20.03,;4.51,-20.8,;4.51,-22.34,;3.17,-23.11,;1.84,-22.34,;5.84,-20.03,;5.84,-18.49,;7.18,-20.8,;8.51,-20.03,;8.51,-18.49,;9.84,-17.72,;9.84,-16.07,;11.27,-15.25,;8.41,-15.25,;9.84,-20.8,;9.84,-22.34,;11.18,-23.11,;12.51,-22.34,;12.51,-20.8,;11.18,-20.03,;13.84,-23.11,;13.02,-24.54,;14.67,-24.54,;15.27,-22.29,;16.7,-23.11,)| Show InChI InChI=1S/C29H37F3N4O5S/c1-3-25-26-21(16-36(25)15-18-5-9-22(10-6-18)29(30,31)32)13-20(14-34-26)27(37)35-24(17-41-28(33)38)19-7-11-23(12-8-19)42(39,40)4-2/h7-8,11-14,18,22,24-25H,3-6,9-10,15-17H2,1-2H3,(H2,33,38)(H,35,37)/t18-,22-,24-,25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...				US Patent US9663515 (2017) BindingDB Entry DOI: 10.7270/Q21N837W
					More data for this Ligand-Target Pair