Compile Data Set for Download or QSAR

Found 343 hits with Last Name = 'guo' and Initial = 'f'   

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
Prothrombin (Homo sapiens (Human))	BDBM294039 (Process 1 | US10106557, Compound 1) Show SMILES Oc1cc(ccc1NC(=O)OCc1ccccc1)N1CCOCC1=O Show InChI InChI=1S/C18H18N2O5/c21-16-10-14(20-8-9-24-12-17(20)22)6-7-15(16)19-18(23)25-11-13-4-2-1-3-5-13/h1-7,10,21H,8-9,11-12H2,(H,19,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.470	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The activity of the compound to be tested against prothrombinase was determined by the production of thrombin. In summary, 12.5 μL human factor ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM294042 (US10106557, Compound 8) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-n1ccccc1=O |r| Show InChI InChI=1S/C21H16ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h1-9,14,16H,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The activity of the compound to be tested against prothrombinase was determined by the production of thrombin. In summary, 12.5 μL human factor ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM294039 (Process 1 | US10106557, Compound 1) Show SMILES Oc1cc(ccc1NC(=O)OCc1ccccc1)N1CCOCC1=O Show InChI InChI=1S/C18H18N2O5/c21-16-10-14(20-8-9-24-12-17(20)22)6-7-15(16)19-18(23)25-11-13-4-2-1-3-5-13/h1-7,10,21H,8-9,11-12H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.01	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in human was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM294042 (US10106557, Compound 8) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-n1ccccc1=O |r| Show InChI InChI=1S/C21H16ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h1-9,14,16H,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.92	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in human was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.93	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in human was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Rattus norvegicus (rat))	BDBM294039 (Process 1 | US10106557, Compound 1) Show SMILES Oc1cc(ccc1NC(=O)OCc1ccccc1)N1CCOCC1=O Show InChI InChI=1S/C18H18N2O5/c21-16-10-14(20-8-9-24-12-17(20)22)6-7-15(16)19-18(23)25-11-13-4-2-1-3-5-13/h1-7,10,21H,8-9,11-12H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.87	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in rats was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50 ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Rattus norvegicus (rat))	BDBM294042 (US10106557, Compound 8) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-n1ccccc1=O |r| Show InChI InChI=1S/C21H16ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h1-9,14,16H,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.17	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in rats was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50 ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM294041 (US10106557, Compound 7) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCCNC1=O |r| Show InChI InChI=1S/C20H19ClN4O5S/c21-17-5-4-16(31-17)18(26)23-9-15-13-10-29-14-8-11(24-7-1-6-22-19(24)27)2-3-12(14)25(13)20(28)30-15/h2-5,8,13,15H,1,6-7,9-10H2,(H,22,27)(H,23,26)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.13	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in human was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.22	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The activity of the compound to be tested against prothrombinase was determined by the production of thrombin. In summary, 12.5 μL human factor ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM294041 (US10106557, Compound 7) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCCNC1=O |r| Show InChI InChI=1S/C20H19ClN4O5S/c21-17-5-4-16(31-17)18(26)23-9-15-13-10-29-14-8-11(24-7-1-6-22-19(24)27)2-3-12(14)25(13)20(28)30-15/h2-5,8,13,15H,1,6-7,9-10H2,(H,22,27)(H,23,26)/t13-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.41	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The activity of the compound to be tested against prothrombinase was determined by the production of thrombin. In summary, 12.5 μL human factor ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Rattus norvegicus (rat))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.45	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in rats was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50 ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM294043 (US10106557, Compound 30) Show SMILES COC[C@H]1CCCN1c1ccc2N3[C@@H](COc2c1)[C@H](CNC(=O)c1ccc(Cl)s1)OC3=O |r| Show InChI InChI=1S/C22H24ClN3O5S/c1-29-11-14-3-2-8-25(14)13-4-5-15-17(9-13)30-12-16-18(31-22(28)26(15)16)10-24-21(27)19-6-7-20(23)32-19/h4-7,9,14,16,18H,2-3,8,10-12H2,1H3,(H,24,27)/t14-,16+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.71	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in human was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM294043 (US10106557, Compound 30) Show SMILES COC[C@H]1CCCN1c1ccc2N3[C@@H](COc2c1)[C@H](CNC(=O)c1ccc(Cl)s1)OC3=O |r| Show InChI InChI=1S/C22H24ClN3O5S/c1-29-11-14-3-2-8-25(14)13-4-5-15-17(9-13)30-12-16-18(31-22(28)26(15)16)10-24-21(27)19-6-7-20(23)32-19/h4-7,9,14,16,18H,2-3,8,10-12H2,1H3,(H,24,27)/t14-,16+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16.2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The activity of the compound to be tested against prothrombinase was determined by the production of thrombin. In summary, 12.5 μL human factor ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Rattus norvegicus (rat))	BDBM294041 (US10106557, Compound 7) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCCNC1=O |r| Show InChI InChI=1S/C20H19ClN4O5S/c21-17-5-4-16(31-17)18(26)23-9-15-13-10-29-14-8-11(24-7-1-6-22-19(24)27)2-3-12(14)25(13)20(28)30-15/h2-5,8,13,15H,1,6-7,9-10H2,(H,22,27)(H,23,26)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16.5	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in rats was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50 ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Rattus norvegicus (rat))	BDBM294043 (US10106557, Compound 30) Show SMILES COC[C@H]1CCCN1c1ccc2N3[C@@H](COc2c1)[C@H](CNC(=O)c1ccc(Cl)s1)OC3=O |r| Show InChI InChI=1S/C22H24ClN3O5S/c1-29-11-14-3-2-8-25(14)13-4-5-15-17(9-13)30-12-16-18(31-22(28)26(15)16)10-24-21(27)19-6-7-20(23)32-19/h4-7,9,14,16,18H,2-3,8,10-12H2,1H3,(H,24,27)/t14-,16+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21.5	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in rats was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50 ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...				Bioorg Med Chem Lett 25: 2579-83 (2015) Article DOI: 10.1016/j.bmcl.2015.04.029 BindingDB Entry DOI: 10.7270/Q2SQ9224
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM294044 (US10106557, Compound 34) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-n1cncn1 |r| Show InChI InChI=1S/C18H14ClN5O4S/c19-16-4-3-15(29-16)17(25)21-6-14-12-7-27-13-5-10(23-9-20-8-22-23)1-2-11(13)24(12)18(26)28-14/h1-5,8-9,12,14H,6-7H2,(H,21,25)/t12-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	106	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in human was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50084039 (CHEMBL3425797) Show SMILES [#6]-[#8]-c1cc2-[#8]-[#6@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...				Bioorg Med Chem Lett 25: 2579-83 (2015) Article DOI: 10.1016/j.bmcl.2015.04.029 BindingDB Entry DOI: 10.7270/Q2SQ9224
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50084041 (Bavachinin) Show SMILES [#6]-[#8]-c1cc2oc(cc(=O)c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H20O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-12,22H,5H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...				Bioorg Med Chem Lett 25: 2579-83 (2015) Article DOI: 10.1016/j.bmcl.2015.04.029 BindingDB Entry DOI: 10.7270/Q2SQ9224
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50084040 (Bavachinin A) Show SMILES [#6]-[#8]-c1cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...				Bioorg Med Chem Lett 25: 2579-83 (2015) Article DOI: 10.1016/j.bmcl.2015.04.029 BindingDB Entry DOI: 10.7270/Q2SQ9224
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM294041 (US10106557, Compound 7) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCCNC1=O |r| Show InChI InChI=1S/C20H19ClN4O5S/c21-17-5-4-16(31-17)18(26)23-9-15-13-10-29-14-8-11(24-7-1-6-22-19(24)27)2-3-12(14)25(13)20(28)30-15/h2-5,8,13,15H,1,6-7,9-10H2,(H,22,27)(H,23,26)/t13-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human thrombin was determined by using a buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2). Appropriate wells in the Greiner...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM294042 (US10106557, Compound 8) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-n1ccccc1=O |r| Show InChI InChI=1S/C21H16ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h1-9,14,16H,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human thrombin was determined by using a buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2). Appropriate wells in the Greiner...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human thrombin was determined by using a buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2). Appropriate wells in the Greiner...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM294043 (US10106557, Compound 30) Show SMILES COC[C@H]1CCCN1c1ccc2N3[C@@H](COc2c1)[C@H](CNC(=O)c1ccc(Cl)s1)OC3=O |r| Show InChI InChI=1S/C22H24ClN3O5S/c1-29-11-14-3-2-8-25(14)13-4-5-15-17(9-13)30-12-16-18(31-22(28)26(15)16)10-24-21(27)19-6-7-20(23)32-19/h4-7,9,14,16,18H,2-3,8,10-12H2,1H3,(H,24,27)/t14-,16+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human thrombin was determined by using a buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2). Appropriate wells in the Greiner...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM294039 (Process 1 | US10106557, Compound 1) Show SMILES Oc1cc(ccc1NC(=O)OCc1ccccc1)N1CCOCC1=O Show InChI InChI=1S/C18H18N2O5/c21-16-10-14(20-8-9-24-12-17(20)22)6-7-15(16)19-18(23)25-11-13-4-2-1-3-5-13/h1-7,10,21H,8-9,11-12H2,(H,19,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human thrombin was determined by using a buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2). Appropriate wells in the Greiner...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM294041 (US10106557, Compound 7) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCCNC1=O |r| Show InChI InChI=1S/C20H19ClN4O5S/c21-17-5-4-16(31-17)18(26)23-9-15-13-10-29-14-8-11(24-7-1-6-22-19(24)27)2-3-12(14)25(13)20(28)30-15/h2-5,8,13,15H,1,6-7,9-10H2,(H,22,27)(H,23,26)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM294043 (US10106557, Compound 30) Show SMILES COC[C@H]1CCCN1c1ccc2N3[C@@H](COc2c1)[C@H](CNC(=O)c1ccc(Cl)s1)OC3=O |r| Show InChI InChI=1S/C22H24ClN3O5S/c1-29-11-14-3-2-8-25(14)13-4-5-15-17(9-13)30-12-16-18(31-22(28)26(15)16)10-24-21(27)19-6-7-20(23)32-19/h4-7,9,14,16,18H,2-3,8,10-12H2,1H3,(H,24,27)/t14-,16+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM294042 (US10106557, Compound 8) Show SMILES Clc1ccc(s1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)-n1ccccc1=O |r| Show InChI InChI=1S/C21H16ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h1-9,14,16H,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM294039 (Process 1 | US10106557, Compound 1) Show SMILES Oc1cc(ccc1NC(=O)OCc1ccccc1)N1CCOCC1=O Show InChI InChI=1S/C18H18N2O5/c21-16-10-14(20-8-9-24-12-17(20)22)6-7-15(16)19-18(23)25-11-13-4-2-1-3-5-13/h1-7,10,21H,8-9,11-12H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461502 (CHEMBL4224765) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H24F4N2O6/c23-13-8-14(24)19(26)20(18(13)25)34-10-16(29)15(9-17(30)31)27-21(32)11-4-6-28(7-5-11)22(33)12-2-1-3-12/h8,11-12,15H,1-7,9-10H2,(H,27,32)(H,30,31)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461503 (CHEMBL4225291) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C23H26F4N2O6/c24-14-9-15(25)20(27)21(19(14)26)35-11-17(30)16(10-18(31)32)28-22(33)12-5-7-29(8-6-12)23(34)13-3-1-2-4-13/h9,12-13,16H,1-8,10-11H2,(H,28,33)(H,31,32)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461503 (CHEMBL4225291) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C23H26F4N2O6/c24-14-9-15(25)20(27)21(19(14)26)35-11-17(30)16(10-18(31)32)28-22(33)12-5-7-29(8-6-12)23(34)13-3-1-2-4-13/h9,12-13,16H,1-8,10-11H2,(H,28,33)(H,31,32)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461525 (CHEMBL4228386) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C21H22F4N2O6/c22-12-7-13(23)18(25)19(17(12)24)33-9-15(28)14(8-16(29)30)26-20(31)10-3-5-27(6-4-10)21(32)11-1-2-11/h7,10-11,14H,1-6,8-9H2,(H,26,31)(H,29,30)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461525 (CHEMBL4228386) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C21H22F4N2O6/c22-12-7-13(23)18(25)19(17(12)24)33-9-15(28)14(8-16(29)30)26-20(31)10-3-5-27(6-4-10)21(32)11-1-2-11/h7,10-11,14H,1-6,8-9H2,(H,26,31)(H,29,30)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461533 (Emricasan | IDN-6556 | PF-03491390 | VAY-785 | VAY...) Show SMILES C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F Show InChI InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461533 (Emricasan | IDN-6556 | PF-03491390 | VAY-785 | VAY...) Show SMILES C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F Show InChI InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461502 (CHEMBL4224765) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H24F4N2O6/c23-13-8-14(24)19(26)20(18(13)25)34-10-16(29)15(9-17(30)31)27-21(32)11-4-6-28(7-5-11)22(33)12-2-1-3-12/h8,11-12,15H,1-7,9-10H2,(H,27,32)(H,30,31)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461528 (CHEMBL4228658) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccs1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H20F4N2O6S/c23-12-8-13(24)19(26)20(18(12)25)34-10-15(29)14(9-17(30)31)27-21(32)11-3-5-28(6-4-11)22(33)16-2-1-7-35-16/h1-2,7-8,11,14H,3-6,9-10H2,(H,27,32)(H,30,31)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461528 (CHEMBL4228658) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1cccs1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H20F4N2O6S/c23-12-8-13(24)19(26)20(18(12)25)34-10-15(29)14(9-17(30)31)27-21(32)11-3-5-28(6-4-11)22(33)16-2-1-7-35-16/h1-2,7-8,11,14H,3-6,9-10H2,(H,27,32)(H,30,31)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461506 (CHEMBL4227628) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1Cl)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H21ClF4N2O7/c25-13-3-1-2-4-18(13)38-24(36)31-7-5-12(6-8-31)23(35)30-16(10-19(33)34)17(32)11-37-22-20(28)14(26)9-15(27)21(22)29/h1-4,9,12,16H,5-8,10-11H2,(H,30,35)(H,33,34)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461506 (CHEMBL4227628) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)Oc1ccccc1Cl)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H21ClF4N2O7/c25-13-3-1-2-4-18(13)38-24(36)31-7-5-12(6-8-31)23(35)30-16(10-19(33)34)17(32)11-37-22-20(28)14(26)9-15(27)21(22)29/h1-4,9,12,16H,5-8,10-11H2,(H,30,35)(H,33,34)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461505 (CHEMBL4228438) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC(F)(F)C1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H22F6N2O6/c23-12-5-13(24)18(26)19(17(12)25)36-9-15(31)14(6-16(32)33)29-20(34)10-1-3-30(4-2-10)21(35)11-7-22(27,28)8-11/h5,10-11,14H,1-4,6-9H2,(H,29,34)(H,32,33)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461505 (CHEMBL4228438) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)C1CC(F)(F)C1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H22F6N2O6/c23-12-5-13(24)18(26)19(17(12)25)36-9-15(31)14(6-16(32)33)29-20(34)10-1-3-30(4-2-10)21(35)11-7-22(27,28)8-11/h5,10-11,14H,1-4,6-9H2,(H,29,34)(H,32,33)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461520 (CHEMBL4226868) Show SMILES CCCCCC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C23H28F4N2O6/c1-2-3-4-5-18(31)29-8-6-13(7-9-29)23(34)28-16(11-19(32)33)17(30)12-35-22-20(26)14(24)10-15(25)21(22)27/h10,13,16H,2-9,11-12H2,1H3,(H,28,34)(H,32,33)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461520 (CHEMBL4226868) Show SMILES CCCCCC(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C23H28F4N2O6/c1-2-3-4-5-18(31)29-8-6-13(7-9-29)23(34)28-16(11-19(32)33)17(30)12-35-22-20(26)14(24)10-15(25)21(22)27/h10,13,16H,2-9,11-12H2,1H3,(H,28,34)(H,32,33)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461494 (CHEMBL4228922) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H21ClF4N2O6/c25-14-3-1-13(2-4-14)24(36)31-7-5-12(6-8-31)23(35)30-17(10-19(33)34)18(32)11-37-22-20(28)15(26)9-16(27)21(22)29/h1-4,9,12,17H,5-8,10-11H2,(H,30,35)(H,33,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461494 (CHEMBL4228922) Show SMILES OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C24H21ClF4N2O6/c25-14-3-1-13(2-4-14)24(36)31-7-5-12(6-8-31)23(35)30-17(10-19(33)34)18(32)11-37-22-20(28)15(26)9-16(27)21(22)29/h1-4,9,12,17H,5-8,10-11H2,(H,30,35)(H,33,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461517 (CHEMBL4224702) Show SMILES CC(C)(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H26F4N2O6/c1-22(2,3)21(33)28-6-4-11(5-7-28)20(32)27-14(9-16(30)31)15(29)10-34-19-17(25)12(23)8-13(24)18(19)26/h8,11,14H,4-7,9-10H2,1-3H3,(H,27,32)(H,30,31)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50461517 (CHEMBL4224702) Show SMILES CC(C)(C)C(=O)N1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C22H26F4N2O6/c1-22(2,3)21(33)28-6-4-11(5-7-28)20(32)27-14(9-16(30)31)15(29)10-34-19-17(25)12(23)8-13(24)18(19)26/h8,11,14H,4-7,9-10H2,1-3H3,(H,27,32)(H,30,31)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 1874-1878 (2018) Article DOI: 10.1016/j.bmcl.2018.04.002 BindingDB Entry DOI: 10.7270/Q2SF2ZSW
					More data for this Ligand-Target Pair

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