Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'reinke' and Initial = 'py'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM442744 (Tolperisone) Show SMILES CC(CN1CCCCC1)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a
Center for Free-Electron Laser Science					Assay Description Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.11.12.378422 BindingDB Entry DOI: 10.7270/Q2B85C55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442750 (Isofloxythepin) Show SMILES CC(C)c1ccc2Sc3cc(F)ccc3CC(N3CCN(CCO)CC3)c2c1 Show InChI InChI=1S/C23H29FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a
Center for Free-Electron Laser Science					Assay Description Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.11.12.378422 BindingDB Entry DOI: 10.7270/Q2B85C55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442751 (Triglycidyl isocyanurate) Show SMILES O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1 Show InChI InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
Center for Free-Electron Laser Science					Assay Description Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.11.12.378422 BindingDB Entry DOI: 10.7270/Q2B85C55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50084655 (CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	<1.56E+3	n/a	n/a	n/a	n/a
Center for Free-Electron Laser Science					Assay Description Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.11.12.378422 BindingDB Entry DOI: 10.7270/Q2B85C55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM24654 (4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a
Center for Free-Electron Laser Science					Assay Description Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.11.12.378422 BindingDB Entry DOI: 10.7270/Q2B85C55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM31090 ((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a
Center for Free-Electron Laser Science					Assay Description Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.11.12.378422 BindingDB Entry DOI: 10.7270/Q2B85C55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50083351 ((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...) Show SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	n/a	n/a	3.93E+4	n/a	n/a	n/a	n/a
Center for Free-Electron Laser Science					Assay Description Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.11.12.378422 BindingDB Entry DOI: 10.7270/Q2B85C55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442799 (RS102859) Show SMILES FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1 Show InChI InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article	n/a	n/a	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a
Center for Free-Electron Laser Science					Assay Description Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.11.12.378422 BindingDB Entry DOI: 10.7270/Q2B85C55
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50399407 (CHEMBL2178284 | MUT056399) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F Show InChI InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	n/a	n/a	3.82E+4	n/a	n/a	n/a	n/a
Center for Free-Electron Laser Science					Assay Description Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.11.12.378422 BindingDB Entry DOI: 10.7270/Q2B85C55
					More data for this Ligand-Target Pair