Compile Data Set for Download or QSAR

Found 611 hits with Last Name = 'fu' and Initial = 'q'   

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
Thermolysin (Bacillus thermoproteolyticus)	BDBM50442257 (CHEMBL2028192) Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science and Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis				Bioorg Med Chem 21: 6778-87 (2013) Article DOI: 10.1016/j.bmc.2013.07.052 BindingDB Entry DOI: 10.7270/Q2CF9RJ6
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50442257 (CHEMBL2028192) Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science and Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin				Bioorg Med Chem 21: 6778-87 (2013) Article DOI: 10.1016/j.bmc.2013.07.052 BindingDB Entry DOI: 10.7270/Q2CF9RJ6
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50442256 (CHEMBL2442111) Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science and Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis				Bioorg Med Chem 21: 6778-87 (2013) Article DOI: 10.1016/j.bmc.2013.07.052 BindingDB Entry DOI: 10.7270/Q2CF9RJ6
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50583309 (CHEMBL4204851) Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]S([#8-])(=O)=O)-[#7]-[#6](=O)\[#6]=[#6]\c2csc(n2)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](=O)-[#6@@H](-[#7]-[#6]-1=O)-[#6@@H](-[#6])-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1ccc(-[#8])cc1 |r,t:21| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human neutrophil elastase				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01583 BindingDB Entry DOI: 10.7270/Q2R78K38
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM136597 (US10005783, 14 | US10047097, 14 | US10774085, Exam...) Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r| Show InChI InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454734 (US10730868, Ex. No. 2) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3ccc(nc3)C(=O)NCC(C)(C)O)cc2s1 |r| Show InChI InChI=1S/C34H33F3N6O6S/c1-17-9-19(29-23(10-17)42-28(47-4)15-39-29)31-43-22-11-20(35)25(12-27(22)50-31)48-26-13-34(36,37)8-7-24(26)49-32(45)41-18-5-6-21(38-14-18)30(44)40-16-33(2,3)46/h5-6,9-12,14-15,24,26,46H,7-8,13,16H2,1-4H3,(H,40,44)(H,41,45)/t24-,26+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454806 (US10730868, Ex. No. 73) Show SMILES COc1ccc(NC(=O)O[C@@H]2CC[C@@H]2Oc2cc3sc(nc3cc2F)-c2cc(C)cc3nc(OC)cnc23)cn1 |r| Show InChI InChI=1S/C28H24FN5O5S/c1-14-8-16(26-19(9-14)33-25(37-3)13-31-26)27-34-18-10-17(29)22(11-23(18)40-27)38-20-5-6-21(20)39-28(35)32-15-4-7-24(36-2)30-12-15/h4,7-13,20-21H,5-6H2,1-3H3,(H,32,35)/t20-,21+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454739 (US10730868, Ex. No. 7) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(OC3CC(F)(F)CC[C@@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C29H25F3N6O4S/c1-14-6-17(26-20(7-14)37-25(40-3)13-35-26)27-38-19-8-18(30)22(9-24(19)43-27)41-23-10-29(31,32)5-4-21(23)42-28(39)36-16-11-33-15(2)34-12-16/h6-9,11-13,21,23H,4-5,10H2,1-3H3,(H,36,39)/t21-,23?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50311570 (2-(6-(4-(4-aminopyrimidin-2-yloxy)piperidin-1-yl)-...) Show SMILES Nc1ccnc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)n1 Show InChI InChI=1S/C20H18FN7O2/c21-17-18(25-12-26-19(17)30-15-4-2-1-3-13(15)11-22)28-9-6-14(7-10-28)29-20-24-8-5-16(23)27-20/h1-5,8,12,14H,6-7,9-10H2,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human dCK				Bioorg Med Chem Lett 19: 6780-3 (2009) Article DOI: 10.1016/j.bmcl.2009.09.082 BindingDB Entry DOI: 10.7270/Q2HM58K9
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454801 (US10730868, Ex. No. 68 | US10730868, Ex. No. 71) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@@H]3CC[C@@H]3OC(=O)Nc3cnc(OCCO)nc3)cc2s1 |r| Show InChI InChI=1S/C28H25FN6O6S/c1-14-7-16(25-19(8-14)34-24(38-2)13-30-25)26-35-18-9-17(29)22(10-23(18)42-26)40-20-3-4-21(20)41-28(37)33-15-11-31-27(32-12-15)39-6-5-36/h7-13,20-21,36H,3-6H2,1-2H3,(H,33,37)/t20-,21+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454835 ((cis)-4,4-difluoro-2-((5-fluoro-2-(3-m ethoxy-6-me...) Show SMILES COc1cnc2c(cc(C)cc2c1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)C[C@H]3OC(=O)Nc3cnc(OCCO)nc3)cc2s1 |r| Show InChI InChI=1S/C30H26F3N5O6S/c1-15-5-16-7-18(41-2)14-34-26(16)19(6-15)27-38-21-8-20(31)22(9-25(21)45-27)43-23-10-30(32,33)11-24(23)44-29(40)37-17-12-35-28(36-13-17)42-4-3-39/h5-9,12-14,23-24,39H,3-4,10-11H2,1-2H3,(H,37,40)/t23-,24+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454738 (US10730868, Ex. No. 6) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3ccc(CO)nc3)cc2s1 |r| Show InChI InChI=1S/C30H26F3N5O5S/c1-15-7-18(27-21(8-15)37-26(41-2)13-35-27)28-38-20-9-19(31)23(10-25(20)44-28)42-24-11-30(32,33)6-5-22(24)43-29(40)36-16-3-4-17(14-39)34-12-16/h3-4,7-10,12-13,22,24,39H,5-6,11,14H2,1-2H3,(H,36,40)/t22-,24+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454747 ((1R, 2S)-4,4-difluoro-2-((5-fluoro-2-(3-methoxy-6-...) Show SMILES COc1cnc2c(cc(C)cc2c1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3cnc(OCCO)nc3)cc2s1 |r| Show InChI InChI=1S/C31H28F3N5O6S/c1-16-7-17-9-19(42-2)15-35-27(17)20(8-16)28-39-22-10-21(32)24(11-26(22)46-28)44-25-12-31(33,34)4-3-23(25)45-30(41)38-18-13-36-29(37-14-18)43-6-5-40/h7-11,13-15,23,25,40H,3-6,12H2,1-2H3,(H,38,41)/t23-,25+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454799 (US10730868, Ex. No. 66 | US10730868, Ex. No. 72) Show SMILES COc1ccc(NC(=O)O[C@H]2CC[C@H]2Oc2cc3sc(nc3cc2F)-c2cc(C)cc3nc(OC)cnc23)cn1 |r| Show InChI InChI=1S/C28H24FN5O5S/c1-14-8-16(26-19(9-14)33-25(37-3)13-31-26)27-34-18-10-17(29)22(11-23(18)40-27)38-20-5-6-21(20)39-28(35)32-15-4-7-24(36-2)30-12-15/h4,7-13,20-21H,5-6H2,1-3H3,(H,32,35)/t20-,21+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454735 (US10730868, Ex. No. 3) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3cnc(CCO)nc3)cc2s1 |r| Show InChI InChI=1S/C30H27F3N6O5S/c1-15-7-17(27-20(8-15)38-26(42-2)14-36-27)28-39-19-9-18(31)22(10-24(19)45-28)43-23-11-30(32,33)5-3-21(23)44-29(41)37-16-12-34-25(4-6-40)35-13-16/h7-10,12-14,21,23,40H,3-6,11H2,1-2H3,(H,37,41)/t21-,23+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454809 (US10730868, Ex. No. 76 | US10730868, Ex. No. 79) Show SMILES COc1cnc2c(cc(Cl)cc2c1)-c1nc2cc(F)c(O[C@@H]3CC[C@@H]3OC(=O)Nc3cnc(OCCO)nc3)cc2s1 |r| Show InChI InChI=1S/C28H23ClFN5O6S/c1-38-17-7-14-6-15(29)8-18(25(14)31-13-17)26-35-20-9-19(30)23(10-24(20)42-26)40-21-2-3-22(21)41-28(37)34-16-11-32-27(33-12-16)39-5-4-36/h6-13,21-22,36H,2-5H2,1H3,(H,34,37)/t21-,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454793 (US10730868, Ex. No. 61 | US10730868, Ex. No. 67 | ...) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@@H]3CC[C@@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C27H23FN6O4S/c1-13-6-16(25-19(7-13)33-24(36-3)12-31-25)26-34-18-8-17(28)22(9-23(18)39-26)37-20-4-5-21(20)38-27(35)32-15-10-29-14(2)30-11-15/h6-12,20-21H,4-5H2,1-3H3,(H,32,35)/t20-,21+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50311564 (2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...) Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)ncc1F Show InChI InChI=1S/C20H17F2N7O2/c21-14-10-25-20(28-17(14)24)30-13-5-7-29(8-6-13)18-16(22)19(27-11-26-18)31-15-4-2-1-3-12(15)9-23/h1-4,10-11,13H,5-8H2,(H2,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human dCK				Bioorg Med Chem Lett 19: 6780-3 (2009) Article DOI: 10.1016/j.bmcl.2009.09.082 BindingDB Entry DOI: 10.7270/Q2HM58K9
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50311568 (3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...) Show SMILES COc1ccc(cc1Oc1ncnc(N2CCC(CC2)Oc2ncc(F)c(N)n2)c1F)C#N Show InChI InChI=1S/C21H19F2N7O3/c1-31-15-3-2-12(9-24)8-16(15)33-20-17(23)19(27-11-28-20)30-6-4-13(5-7-30)32-21-26-10-14(22)18(25)29-21/h2-3,8,10-11,13H,4-7H2,1H3,(H2,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human dCK				Bioorg Med Chem Lett 19: 6780-3 (2009) Article DOI: 10.1016/j.bmcl.2009.09.082 BindingDB Entry DOI: 10.7270/Q2HM58K9
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454751 ((1R,2S)-4,4-difluoro-2-((5-fluoro-2-(2-methoxy-7-m...) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3cnc(OCCOP(O)(O)=O)nc3)cc2s1 |r| Show InChI InChI=1S/C30H28F3N6O9PS/c1-15-7-17(26-20(8-15)38-25(44-2)14-34-26)27-39-19-9-18(31)22(10-24(19)50-27)47-23-11-30(32,33)4-3-21(23)48-29(40)37-16-12-35-28(36-13-16)45-5-6-46-49(41,42)43/h7-10,12-14,21,23H,3-6,11H2,1-2H3,(H,37,40)(H2,41,42,43)/t21-,23+/m1/s1	UniProtKB/SwissProt 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
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454763 (US10730868, Ex. No. 31) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CCC[C@H]3OC(=O)Nc3ccc(CO)nc3)cc2s1 |r| Show InChI InChI=1S/C29H26FN5O5S/c1-15-8-18(27-21(9-15)34-26(38-2)13-32-27)28-35-20-10-19(30)24(11-25(20)41-28)39-22-4-3-5-23(22)40-29(37)33-16-6-7-17(14-36)31-12-16/h6-13,22-23,36H,3-5,14H2,1-2H3,(H,33,37)/t22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454799 (US10730868, Ex. No. 66 | US10730868, Ex. No. 72) Show SMILES COc1ccc(NC(=O)O[C@H]2CC[C@H]2Oc2cc3sc(nc3cc2F)-c2cc(C)cc3nc(OC)cnc23)cn1 |r| Show InChI InChI=1S/C28H24FN5O5S/c1-14-8-16(26-19(9-14)33-25(37-3)13-31-26)27-34-18-10-17(29)22(11-23(18)40-27)38-20-5-6-21(20)39-28(35)32-15-4-7-24(36-2)30-12-15/h4,7-13,20-21H,5-6H2,1-3H3,(H,32,35)/t20-,21+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454815 (US10730868, Ex. No. 82) Show SMILES COc1cnc2c(cc(Cl)cc2c1)-c1nc2cc(F)c(O[C@@H]3CC[C@@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C27H21ClFN5O4S/c1-13-30-10-16(11-31-13)33-27(35)38-22-4-3-21(22)37-23-9-24-20(8-19(23)29)34-26(39-24)18-7-15(28)5-14-6-17(36-2)12-32-25(14)18/h5-12,21-22H,3-4H2,1-2H3,(H,33,35)/t21-,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454802 (US10730868, Ex. No. 69) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC[C@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C27H23FN6O4S/c1-13-6-16(25-19(7-13)33-24(36-3)12-31-25)26-34-18-8-17(28)22(9-23(18)39-26)37-20-4-5-21(20)38-27(35)32-15-10-29-14(2)30-11-15/h6-12,20-21H,4-5H2,1-3H3,(H,32,35)/t20-,21+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454740 (US10730868, Ex. No. 8) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3ccnc(OCCC(C)(C)O)c3)cc2s1 |r| Show InChI InChI=1S/C34H34F3N5O6S/c1-18-11-20(30-23(12-18)41-29(45-4)17-39-30)31-42-22-14-21(35)25(15-27(22)49-31)47-26-16-34(36,37)7-5-24(26)48-32(43)40-19-6-9-38-28(13-19)46-10-8-33(2,3)44/h6,9,11-15,17,24,26,44H,5,7-8,10,16H2,1-4H3,(H,38,40,43)/t24-,26+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454833 ((cis)-4,4-difluoro-2-((5-fluoro-2-(2-methoxy-7-met...) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)C[C@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C28H23F3N6O4S/c1-13-4-16(25-19(5-13)36-24(39-3)12-34-25)26-37-18-6-17(29)20(7-23(18)42-26)40-21-8-28(30,31)9-22(21)41-27(38)35-15-10-32-14(2)33-11-15/h4-7,10-12,21-22H,8-9H2,1-3H3,(H,35,38)/t21-,22+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454757 (US10730868, Ex. No. 25) Show SMILES COc1ccc(NC(=O)O[C@@H]2CCC[C@@H]2Oc2cc3sc(nc3cc2F)-c2cc(C)cc3nc(OC)cnc23)cc1 |r| Show InChI InChI=1S/C30H27FN4O5S/c1-16-11-19(28-22(12-16)34-27(38-3)15-32-28)29-35-21-13-20(31)25(14-26(21)41-29)39-23-5-4-6-24(23)40-30(36)33-17-7-9-18(37-2)10-8-17/h7-15,23-24H,4-6H2,1-3H3,(H,33,36)/t23-,24+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454793 (US10730868, Ex. No. 61 | US10730868, Ex. No. 67 | ...) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@@H]3CC[C@@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C27H23FN6O4S/c1-13-6-16(25-19(7-13)33-24(36-3)12-31-25)26-34-18-8-17(28)22(9-23(18)39-26)37-20-4-5-21(20)38-27(35)32-15-10-29-14(2)30-11-15/h6-12,20-21H,4-5H2,1-3H3,(H,32,35)/t20-,21+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454748 ((1R,2S)-2-((2-(6-chloro-3-methoxyquinolin-8-vi)-5-...) Show SMILES COc1cnc2c(cc(Cl)cc2c1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3cnc(OCCO)nc3)cc2s1 |r| Show InChI InChI=1S/C30H25ClF3N5O6S/c1-42-18-7-15-6-16(31)8-19(26(15)35-14-18)27-39-21-9-20(32)23(10-25(21)46-27)44-24-11-30(33,34)3-2-22(24)45-29(41)38-17-12-36-28(37-13-17)43-5-4-40/h6-10,12-14,22,24,40H,2-5,11H2,1H3,(H,38,41)/t22-,24+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454790 (US10730868, Ex. No. 58 | cis-2-((5-fluoro-2-(2-met...) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CCCC[C@H]3OC(=O)Nc3cccnc3)cc2s1 |r| Show InChI InChI=1S/C29H26FN5O4S/c1-16-10-18(27-21(11-16)34-26(37-2)15-32-27)28-35-20-12-19(30)24(13-25(20)40-28)38-22-7-3-4-8-23(22)39-29(36)33-17-6-5-9-31-14-17/h5-6,9-15,22-23H,3-4,7-8H2,1-2H3,(H,33,36)/t22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454787 (US10730868, Ex. No. 55 | US10730868, Ex. No. 59 | ...) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@@H]3CCCC[C@@H]3OC(=O)Nc3cccnc3)cc2s1 |r| Show InChI InChI=1S/C29H26FN5O4S/c1-16-10-18(27-21(11-16)34-26(37-2)15-32-27)28-35-20-12-19(30)24(13-25(20)40-28)38-22-7-3-4-8-23(22)39-29(36)33-17-6-5-9-31-14-17/h5-6,9-15,22-23H,3-4,7-8H2,1-2H3,(H,33,36)/t22-,23+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454801 (US10730868, Ex. No. 68 | US10730868, Ex. No. 71) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@@H]3CC[C@@H]3OC(=O)Nc3cnc(OCCO)nc3)cc2s1 |r| Show InChI InChI=1S/C28H25FN6O6S/c1-14-7-16(25-19(8-14)34-24(38-2)13-30-25)26-35-18-9-17(29)22(10-23(18)42-26)40-20-3-4-21(20)41-28(37)33-15-11-31-27(32-12-15)39-6-5-36/h7-13,20-21,36H,3-6H2,1-2H3,(H,33,37)/t20-,21+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454733 ((1R,2S)-4,4-difluoro-2-((5-fluoro-2-(2-methoxy-7-m...) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3cnc(OCCO)nc3)cc2s1 |r| Show InChI InChI=1S/C30H27F3N6O6S/c1-15-7-17(26-20(8-15)38-25(42-2)14-34-26)27-39-19-9-18(31)22(10-24(19)46-27)44-23-11-30(32,33)4-3-21(23)45-29(41)37-16-12-35-28(36-13-16)43-6-5-40/h7-10,12-14,21,23,40H,3-6,11H2,1-2H3,(H,37,41)/t21-,23+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454766 (US10730868, Ex. No. 34) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CCC[C@H]3OC(=O)Nc3cncc(c3)C#N)cc2s1 |r| Show InChI InChI=1S/C29H23FN6O4S/c1-15-6-18(27-21(7-15)35-26(38-2)14-33-27)28-36-20-9-19(30)24(10-25(20)41-28)39-22-4-3-5-23(22)40-29(37)34-17-8-16(11-31)12-32-13-17/h6-10,12-14,22-23H,3-5H2,1-2H3,(H,34,37)/t22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50311609 (CHEMBL1080444 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...) Show SMILES Nc1nc(=O)n(cc1F)[C@H]1CC[C@@H](C1)NC(=O)c1cc(ccn1)-c1cc2ccccc2s1 |r| Show InChI InChI=1S/C23H20FN5O2S/c24-17-12-29(23(31)28-21(17)25)16-6-5-15(11-16)27-22(30)18-9-14(7-8-26-18)20-10-13-3-1-2-4-19(13)32-20/h1-4,7-10,12,15-16H,5-6,11H2,(H,27,30)(H2,25,28,31)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human deoxycytidine kinase by lysate filter binding assay				Bioorg Med Chem Lett 19: 6784-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.081 BindingDB Entry DOI: 10.7270/Q2CV4HVK
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454745 (US10730868, Ex. No. 13 | US10730868, Ex. No. 20) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@@H]3CC(F)(F)CC[C@@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C29H25F3N6O4S/c1-14-6-17(26-20(7-14)37-25(40-3)13-35-26)27-38-19-8-18(30)22(9-24(19)43-27)41-23-10-29(31,32)5-4-21(23)42-28(39)36-16-11-33-15(2)34-12-16/h6-9,11-13,21,23H,4-5,10H2,1-3H3,(H,36,39)/t21-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454788 (US10730868, Ex. No. 56) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@@H]3CCCC[C@@H]3OC(=O)Nc3ccncc3)cc2s1 |r| Show InChI InChI=1S/C29H26FN5O4S/c1-16-11-18(27-21(12-16)34-26(37-2)15-32-27)28-35-20-13-19(30)24(14-25(20)40-28)38-22-5-3-4-6-23(22)39-29(36)33-17-7-9-31-10-8-17/h7-15,22-23H,3-6H2,1-2H3,(H,31,33,36)/t22-,23+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454736 (US10730868, Ex. No. 4) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC(F)(F)CC[C@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C29H25F3N6O4S/c1-14-6-17(26-20(7-14)37-25(40-3)13-35-26)27-38-19-8-18(30)22(9-24(19)43-27)41-23-10-29(31,32)5-4-21(23)42-28(39)36-16-11-33-15(2)34-12-16/h6-9,11-13,21,23H,4-5,10H2,1-3H3,(H,36,39)/t21-,23+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454797 (US10730868, Ex. No. 64) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CC[C@H]3OC(=O)Nc3cnc(OCCO)nc3)cc2s1 |r| Show InChI InChI=1S/C28H25FN6O6S/c1-14-7-16(25-19(8-14)34-24(38-2)13-30-25)26-35-18-9-17(29)22(10-23(18)42-26)40-20-3-4-21(20)41-28(37)33-15-11-31-27(32-12-15)39-6-5-36/h7-13,20-21,36H,3-6H2,1-2H3,(H,33,37)/t20-,21+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454778 (US10730868, Ex. No. 46 | rac-cis-2-((2-(7-cyano-2-...) Show SMILES COc1cnc2c(cc(cc2n1)C#N)-c1nc2cc(F)c(O[C@@H]3CCC[C@@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C28H22FN7O4S/c1-14-31-11-16(12-32-14)34-28(37)40-22-5-3-4-21(22)39-23-9-24-19(8-18(23)29)36-27(41-24)17-6-15(10-30)7-20-26(17)33-13-25(35-20)38-2/h6-9,11-13,21-22H,3-5H2,1-2H3,(H,34,37)/t21-,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50311569 (2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...) Show SMILES COc1ccc(Oc2ncnc(N3CCC(CC3)Oc3ncc(F)c(N)n3)c2F)c(c1)C#N Show InChI InChI=1S/C21H19F2N7O3/c1-31-14-2-3-16(12(8-14)9-24)33-20-17(23)19(27-11-28-20)30-6-4-13(5-7-30)32-21-26-10-15(22)18(25)29-21/h2-3,8,10-11,13H,4-7H2,1H3,(H2,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human dCK				Bioorg Med Chem Lett 19: 6780-3 (2009) Article DOI: 10.1016/j.bmcl.2009.09.082 BindingDB Entry DOI: 10.7270/Q2HM58K9
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454777 (US10730868, Ex. No. 45 | rac-cis-2-((2-(7-cyano-2-...) Show SMILES COc1cnc2c(cc(cc2n1)C#N)-c1nc2cc(F)c(O[C@@H]3CCC[C@@H]3OC(=O)Nc3cncc(c3)C#N)cc2s1 |r| Show InChI InChI=1S/C29H20FN7O4S/c1-39-26-14-34-27-18(6-15(10-31)7-21(27)36-26)28-37-20-8-19(30)24(9-25(20)42-28)40-22-3-2-4-23(22)41-29(38)35-17-5-16(11-32)12-33-13-17/h5-9,12-14,22-23H,2-4H2,1H3,(H,35,38)/t22-,23+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454746 (US10730868, Ex. No. 14) Show SMILES COc1ccc(NC(=O)O[C@H]2CCC(F)(F)CC2Oc2cc3sc(nc3cc2F)-c2cc(C)cc3nc(OC)cnc23)cn1 |r| Show InChI InChI=1S/C30H26F3N5O5S/c1-15-8-17(27-20(9-15)37-26(41-3)14-35-27)28-38-19-10-18(31)22(11-24(19)44-28)42-23-12-30(32,33)7-6-21(23)43-29(39)36-16-4-5-25(40-2)34-13-16/h4-5,8-11,13-14,21,23H,6-7,12H2,1-3H3,(H,36,39)/t21-,23?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454780 ((1R,2S)-2-((5-fluoro-2-(2-methoxy-7-methylquinoxal...) Show SMILES CNC(=O)c1ccc(NC(=O)O[C@@H]2CCC[C@@H]2Oc2cc3sc(nc3cc2F)-c2cc(C)cc3nc(OC)cnc23)cn1 |r| Show InChI InChI=1S/C30H27FN6O5S/c1-15-9-17(27-21(10-15)36-26(40-3)14-34-27)29-37-20-11-18(31)24(12-25(20)43-29)41-22-5-4-6-23(22)42-30(39)35-16-7-8-19(33-13-16)28(38)32-2/h7-14,22-23H,4-6H2,1-3H3,(H,32,38)(H,35,39)/t22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454768 (US10730868, Ex. No. 36) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CCC[C@H]3OC(=O)Nc3ccc(nc3)C#N)cc2s1 |r| Show InChI InChI=1S/C29H23FN6O4S/c1-15-8-18(27-21(9-15)35-26(38-2)14-33-27)28-36-20-10-19(30)24(11-25(20)41-28)39-22-4-3-5-23(22)40-29(37)34-17-7-6-16(12-31)32-13-17/h6-11,13-14,22-23H,3-5H2,1-2H3,(H,34,37)/t22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454754 ((1R,2S)-2-((5-fluoro-2-(2-methoxy-7-methylquinoxal...) Show SMILES COc1ccc(CC(=O)O[C@@H]2CCC[C@@H]2Oc2cc3sc(nc3cc2F)-c2cc(C)cc3nc(OC)cnc23)cn1 |r| Show InChI InChI=1S/C30H27FN4O5S/c1-16-9-18(29-21(10-16)34-27(38-3)15-33-29)30-35-20-12-19(31)24(13-25(20)41-30)39-22-5-4-6-23(22)40-28(36)11-17-7-8-26(37-2)32-14-17/h7-10,12-15,22-23H,4-6,11H2,1-3H3/t22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454837 (US10730868, Ex. No. 104 | rac-cis-5-((5-fluoro-2-(...) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@@H]3CCC(C)(C)[C@@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C30H29FN6O4S/c1-15-8-18(26-21(9-15)36-25(39-5)14-34-26)28-37-20-10-19(31)23(11-24(20)42-28)40-22-6-7-30(3,4)27(22)41-29(38)35-17-12-32-16(2)33-13-17/h8-14,22,27H,6-7H2,1-5H3,(H,35,38)/t22-,27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454767 (US10730868, Ex. No. 35 | US10730868, Ex. No. 37) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CCC[C@H]3OC(=O)Nc3cnc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C28H25FN6O4S/c1-14-7-17(26-20(8-14)34-25(37-3)13-32-26)27-35-19-9-18(29)23(10-24(19)40-27)38-21-5-4-6-22(21)39-28(36)33-16-11-30-15(2)31-12-16/h7-13,21-22H,4-6H2,1-3H3,(H,33,36)/t21-,22+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454784 ((1R,2S)-2-((5-fluoro-2-(2-methoxy-7-methylquinoxal...) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CCC[C@H]3OC(=O)Nc3cnc(nc3)C(N)=O)cc2s1 |r| Show InChI InChI=1S/C28H24FN7O5S/c1-13-6-15(24-18(7-13)35-23(39-2)12-31-24)27-36-17-8-16(29)21(9-22(17)42-27)40-19-4-3-5-20(19)41-28(38)34-14-10-32-26(25(30)37)33-11-14/h6-12,19-20H,3-5H2,1-2H3,(H2,30,37)(H,34,38)/t19-,20+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair
Proteinase-activated receptor 4 (Homo sapiens (Human))	BDBM454764 (US10730868, Ex. No. 32) Show SMILES COc1cnc2c(cc(C)cc2n1)-c1nc2cc(F)c(O[C@H]3CCC[C@H]3OC(=O)Nc3ccc(C)nc3)cc2s1 |r| Show InChI InChI=1S/C29H26FN5O4S/c1-15-9-18(27-21(10-15)34-26(37-3)14-32-27)28-35-20-11-19(30)24(12-25(20)40-28)38-22-5-4-6-23(22)39-29(36)33-17-8-7-16(2)31-13-17/h7-14,22-23H,4-6H2,1-3H3,(H,33,36)/t22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Bristol-Myers Squibb Company US Patent					Assay Description FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the...				US Patent US10730868 (2020) BindingDB Entry DOI: 10.7270/Q2125WQP
					More data for this Ligand-Target Pair

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