BDBM319589 US10174007, Example 8::US10787438, Example 8::US10988463, Example 8

SMILES: CCc1c(nc(nc1C(F)(F)F)N1C[C@@H](O)[C@@H]1C)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1

InChI Key: InChIKey=SOSUXIVAGRPMCG-KHAFSYESSA-N

Data: 3 IC50

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 3 hits for monomerid = 319589   

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
Ketohexokinase (Homo sapiens (Human))	BDBM319589 (US10174007, Example 8 | US10787438, Example 8 | US...) Show SMILES CCc1c(nc(nc1C(F)(F)F)N1C[C@@H](O)[C@@H]1C)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H23F3N4O3/c1-3-9-15(18(19,20)21)22-17(25-7-13(26)8(25)2)23-16(9)24-5-11-10(4-14(27)28)12(11)6-24/h8,10-13,26H,3-7H2,1-2H3,(H,27,28)/t8-,10-,11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description A 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepared in DM...				US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319589 (US10174007, Example 8 | US10787438, Example 8 | US...) Show SMILES CCc1c(nc(nc1C(F)(F)F)N1C[C@@H](O)[C@@H]1C)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H23F3N4O3/c1-3-9-15(18(19,20)21)22-17(25-7-13(26)8(25)2)23-16(9)24-5-11-10(4-14(27)28)12(11)6-24/h8,10-13,26H,3-7H2,1-2H3,(H,27,28)/t8-,10-,11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepa...				US Patent US10988463 (2021)
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM319589 (US10174007, Example 8 | US10787438, Example 8 | US...) Show SMILES CCc1c(nc(nc1C(F)(F)F)N1C[C@@H](O)[C@@H]1C)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C18H23F3N4O3/c1-3-9-15(18(19,20)21)22-17(25-7-13(26)8(25)2)23-16(9)24-5-11-10(4-14(27)28)12(11)6-24/h8,10-13,26H,3-7H2,1-2H3,(H,27,28)/t8-,10-,11-,12+,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepa...				US Patent US10787438 (2020)
					More data for this Ligand-Target Pair