Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 9495   

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
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM311858 (US10155775, Example 4 | US10822319, represented by...) Show SMILES CS(=O)(=O)c1ccc2CN(Cc2c1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C20H22F2N2O3S/c1-28(25,26)16-4-2-12-9-24(10-13(12)6-16)15-8-19(23)20(27-11-15)17-7-14(21)3-5-18(17)22/h2-7,15,19-20H,8-11,23H2,1H3/t15-,19+,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.; CENTAURUS BIOPHARMA CO., LTD. US Patent					Assay Description a. White 384-well plate (Perkin Elmer, Catalog No. 607290/99)b. HEPES buffer: using 1M HEPES buffer (Invitrogen, Catalog No. 15630-080) to prepare 50...				US Patent US10822319 (2020) BindingDB Entry DOI: 10.7270/Q2028VN6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50003020 (MK-3102 | OMARIGLIPTIN | US10155775, Omarigliptin ...) Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD.; CENTAURUS BIOPHARMA CO., LTD. US Patent					Assay Description a. White 384-well plate (Perkin Elmer, Catalog No. 607290/99)b. HEPES buffer: using 1M HEPES buffer (Invitrogen, Catalog No. 15630-080) to prepare 50...				US Patent US10822319 (2020) BindingDB Entry DOI: 10.7270/Q2028VN6
					More data for this Ligand-Target Pair