null

SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)OCC(F)F)C1)-c1ccc2cc(cnn12)C#N

InChI Key: InChIKey=QBHOCJFADGHPMU-QDOIMOTRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 407784   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM407784 (2,2-difluoroethyl (((1R,3r)- 3-((2-(3-cyanopyrrolo...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)OCC(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-2.7,;-8.37,-1.93,;-8.37,-.39,;-9.7,-1.16,;-7.03,-2.7,;-7.03,-4.24,;-5.7,-1.93,;-4.36,-2.7,;-3.03,-1.93,;-3.03,-.39,;-1.7,-2.7,;-1.7,-4.24,;-.36,-5.01,;.97,-4.24,;.97,-2.7,;-.36,-1.93,;-.36,-.39,;.97,.38,;2.46,-.02,;2.86,1.47,;4.19,2.24,;5.52,1.47,;6.86,2.24,;8.19,1.47,;6.86,3.78,;8.19,4.55,;8.19,6.09,;9.53,6.86,;6.86,6.86,;1.37,1.87,;2.3,-5.01,;2.47,-6.54,;3.97,-6.86,;4.74,-5.53,;6.25,-5.21,;6.72,-3.74,;5.69,-2.6,;4.19,-2.92,;3.71,-4.38,;8.21,-3.34,;9.7,-2.94,)| Show InChI InChI=1S/C27H30F3N7O4/c1-27(2,40)23(28)13-33-25(38)19-12-32-21(22-4-3-18-7-16(9-31)11-35-37(18)22)8-20(19)36-17-5-15(6-17)10-34-26(39)41-14-24(29)30/h3-4,7-8,11-12,15,17,23-24,40H,5-6,10,13-14H2,1-2H3,(H,32,36)(H,33,38)(H,34,39)/t15-,17-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM407784 (2,2-difluoroethyl (((1R,3r)- 3-((2-(3-cyanopyrrolo...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@H](CNC(=O)OCC(F)F)C1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,19.20,wD:17.17,(-9.7,-2.7,;-8.37,-1.93,;-8.37,-.39,;-9.7,-1.16,;-7.03,-2.7,;-7.03,-4.24,;-5.7,-1.93,;-4.36,-2.7,;-3.03,-1.93,;-3.03,-.39,;-1.7,-2.7,;-1.7,-4.24,;-.36,-5.01,;.97,-4.24,;.97,-2.7,;-.36,-1.93,;-.36,-.39,;.97,.38,;2.46,-.02,;2.86,1.47,;4.19,2.24,;5.52,1.47,;6.86,2.24,;8.19,1.47,;6.86,3.78,;8.19,4.55,;8.19,6.09,;9.53,6.86,;6.86,6.86,;1.37,1.87,;2.3,-5.01,;2.47,-6.54,;3.97,-6.86,;4.74,-5.53,;6.25,-5.21,;6.72,-3.74,;5.69,-2.6,;4.19,-2.92,;3.71,-4.38,;8.21,-3.34,;9.7,-2.94,)| Show InChI InChI=1S/C27H30F3N7O4/c1-27(2,40)23(28)13-33-25(38)19-12-32-21(22-4-3-18-7-16(9-31)11-35-37(18)22)8-20(19)36-17-5-15(6-17)10-34-26(39)41-14-24(29)30/h3-4,7-8,11-12,15,17,23-24,40H,5-6,10,13-14H2,1-2H3,(H,32,36)(H,33,38)(H,34,39)/t15-,17-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair