Compile Data Set for Download or QSAR

Found 426 hits with Last Name = 'remillard' and Initial = 'r'   

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))	BDBM176047 (US10047103, 80 | US9688695, 80) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(Cl)nc3)cc(OC)cc2o1 Show InChI InChI=1S/C23H16ClN5O4S2/c1-30-14-5-17(32-10-13-11-34-21(26-13)12-3-4-20(24)25-8-12)15-7-19(33-18(15)6-14)16-9-29-22(27-16)35-23(28-29)31-2/h3-9,11H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176041 (US10047103, 74 | US9688695, 74) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(C)nc3)cc(OC)cc2o1 Show InChI InChI=1S/C24H19N5O4S2/c1-13-4-5-14(9-25-13)22-26-15(12-34-22)11-32-19-6-16(30-2)7-20-17(19)8-21(33-20)18-10-29-23(27-18)35-24(28-29)31-3/h4-10,12H,11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176255 (US10047103, 288 | US9688695, 288) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)CC#N)cc(OC)cc2o1 Show InChI InChI=1S/C28H22N6O5S2/c1-33(9-8-29)26(35)17-6-4-16(5-7-17)25-30-18(15-40-25)14-38-22-10-19(36-2)11-23-20(22)12-24(39-23)21-13-34-27(31-21)41-28(32-34)37-3/h4-7,10-13,15H,9,14H2,1-3H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176015 (US10047103, 48 | US9688695, 48) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3ccc(cc3)C(=O)N(C)CC#N)cc(OC)cc2o1 Show InChI InChI=1S/C29H24N6O5S2/c1-16-22(31-26(41-16)17-5-7-18(8-6-17)27(36)34(2)10-9-30)15-39-23-11-19(37-3)12-24-20(23)13-25(40-24)21-14-35-28(32-21)42-29(33-35)38-4/h5-8,11-14H,10,15H2,1-4H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM175995 (US10047103, 75 | US9605024, Example 28 | US9688695...) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccncc3)cc(OC)cc2o1 Show InChI InChI=1S/C23H17N5O4S2/c1-29-15-7-18(31-11-14-12-33-21(25-14)13-3-5-24-6-4-13)16-9-20(32-19(16)8-15)17-10-28-22(26-17)34-23(27-28)30-2/h3-10,12H,11H2,1-2H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176048 (US10047103, 81 | US9688695, 81) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)S(C)(=O)=O)cc(OC)cc2o1 Show InChI InChI=1S/C25H20N4O6S3/c1-32-16-8-20(34-12-15-13-36-23(26-15)14-4-6-17(7-5-14)38(3,30)31)18-10-22(35-21(18)9-16)19-11-29-24(27-19)37-25(28-29)33-2/h4-11,13H,12H2,1-3H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176268 (US10047103, 301 | US9688695, 301) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N3CCCC3)cc(OC)cc2o1 Show InChI InChI=1S/C29H25N5O5S2/c1-36-20-11-23(21-13-25(39-24(21)12-20)22-14-34-28(31-22)41-29(32-34)37-2)38-15-19-16-40-26(30-19)17-5-7-18(8-6-17)27(35)33-9-3-4-10-33/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176044 (US10047103, 77 | US9688695, 77) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3cccc(CO)c3)cc(OC)cc2o1 Show InChI InChI=1S/C26H22N4O5S2/c1-14-20(27-24(36-14)16-6-4-5-15(7-16)12-31)13-34-21-8-17(32-2)9-22-18(21)10-23(35-22)19-11-30-25(28-19)37-26(29-30)33-3/h4-11,31H,12-13H2,1-3H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176040 (US10047103, 73 | US9688695, 73) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(F)nc3)cc(OC)cc2o1 Show InChI InChI=1S/C23H16FN5O4S2/c1-30-14-5-17(32-10-13-11-34-21(26-13)12-3-4-20(24)25-8-12)15-7-19(33-18(15)6-14)16-9-29-22(27-16)35-23(28-29)31-2/h3-9,11H,10H2,1-2H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176093 (US10047103, 126 | US9688695, 126 | US9688695, 127) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC4(CC3)OCCO4)cc(OC)cc2o1 Show InChI InChI=1S/C26H26N4O7S2/c1-32-16-9-19(17-11-21(37-20(17)10-16)18-12-30-23(28-18)39-24(29-30)33-2)34-13-15-14-38-22(27-15)25(31)3-5-26(6-4-25)35-7-8-36-26/h9-12,14,31H,3-8,13H2,1-2H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176272 (US10047103, 305 | US9688695, 305) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)NCC(F)(F)F)cc(OC)cc2o1 Show InChI InChI=1S/C27H20F3N5O5S2/c1-37-17-7-20(18-9-22(40-21(18)8-17)19-10-35-25(33-19)42-26(34-35)38-2)39-11-16-12-41-24(32-16)15-5-3-14(4-6-15)23(36)31-13-27(28,29)30/h3-10,12H,11,13H2,1-2H3,(H,31,36)	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176278 (US10047103, 311 | US9688695, 311) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)CCC#N)cc(OC)cc2o1 Show InChI InChI=1S/C29H24N6O5S2/c1-34(10-4-9-30)27(36)18-7-5-17(6-8-18)26-31-19(16-41-26)15-39-23-11-20(37-2)12-24-21(23)13-25(40-24)22-14-35-28(32-22)42-29(33-35)38-3/h5-8,11-14,16H,4,10,15H2,1-3H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176011 (US10047103, 44 | US9688695, 44) Show SMILES CCc1sc(nc1COc1cc(OC)cc2oc(cc12)-c1cn2nc(OC)sc2n1)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C29H27N5O5S2/c1-6-25-21(30-26(40-25)16-7-9-17(10-8-16)27(35)33(2)3)15-38-22-11-18(36-4)12-23-19(22)13-24(39-23)20-14-34-28(31-20)41-29(32-34)37-5/h7-14H,6,15H2,1-5H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176003 (US10047103, 36 | US9688695, 36) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1 Show InChI InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176006 (US10047103, 39 | US9688695, 39) Show SMILES COCCN(C)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1 Show InChI InChI=1S/C29H27N5O6S2/c1-33(9-10-36-2)27(35)18-7-5-17(6-8-18)26-30-19(16-41-26)15-39-23-11-20(37-3)12-24-21(23)13-25(40-24)22-14-34-28(31-22)42-29(32-34)38-4/h5-8,11-14,16H,9-10,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176034 (US10047103, 67 | US9688695, 67) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccnc(F)c3)cc(OC)cc2o1 Show InChI InChI=1S/C23H16FN5O4S2/c1-30-14-6-17(32-10-13-11-34-21(26-13)12-3-4-25-20(24)5-12)15-8-19(33-18(15)7-14)16-9-29-22(27-16)35-23(28-29)31-2/h3-9,11H,10H2,1-2H3	PDB 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	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM175995 (US10047103, 75 | US9605024, Example 28 | US9688695...) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccncc3)cc(OC)cc2o1 Show InChI InChI=1S/C23H17N5O4S2/c1-29-15-7-18(31-11-14-12-33-21(25-14)13-3-5-24-6-4-13)16-9-20(32-19(16)8-15)17-10-28-22(26-17)34-23(27-28)30-2/h3-10,12H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM175985 (US10047103, 18 | US9605024, Example 18 | US9688695...) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(OC)cc3)cc(OC)cc2o1 Show InChI InChI=1S/C25H20N4O5S2/c1-30-16-6-4-14(5-7-16)23-26-15(13-35-23)12-33-20-8-17(31-2)9-21-18(20)10-22(34-21)19-11-29-24(27-19)36-25(28-29)32-3/h4-11,13H,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM175970 (US10047103, 3 | US9605024, Example 3 | US9688695, ...) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccccc3)cc(OC)cc2o1 Show InChI InChI=1S/C24H18N4O4S2/c1-29-16-8-19(31-12-15-13-33-22(25-15)14-6-4-3-5-7-14)17-10-21(32-20(17)9-16)18-11-28-23(26-18)34-24(27-28)30-2/h3-11,13H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176092 (US10047103, 125 | US9688695, 125) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)C3(F)CCOCC3)cc(OC)cc2o1 Show InChI InChI=1S/C24H23FN4O5S2/c1-13-17(26-21(35-13)24(25)4-6-32-7-5-24)12-33-18-8-14(30-2)9-19-15(18)10-20(34-19)16-11-29-22(27-16)36-23(28-29)31-3/h8-11H,4-7,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176061 (US10047103, 94 | US9688695, 94) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CCOCC3)cc(OC)cc2o1 Show InChI InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184633 (6-(3,4-dichlorophenyl)-2-hydroxy-4-oxohex-2-enoic ...) Show SMILES OC(=O)C(=O)CC(=O)CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C12H10Cl2O4/c13-9-4-2-7(5-10(9)14)1-3-8(15)6-11(16)12(17)18/h2,4-5H,1,3,6H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of HIV integrase				Bioorg Med Chem Lett 16: 2920-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.010 BindingDB Entry DOI: 10.7270/Q2BV7HDK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of HIV integrase				Bioorg Med Chem Lett 16: 2920-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.010 BindingDB Entry DOI: 10.7270/Q2BV7HDK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176176 (US10047103, 209 | US9688695, 209) Show SMILES COc1cc(OCc2csc(n2)-c2ccc(Cl)cc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1 Show InChI InChI=1S/C26H19ClN4O3S/c1-15-3-8-25-29-21(12-31(25)30-15)24-11-20-22(9-19(32-2)10-23(20)34-24)33-13-18-14-35-26(28-18)16-4-6-17(27)7-5-16/h3-12,14H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176023 (US10047103, 56 | US9688695, 56) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCCOCC3)cc(OC)cc2o1 Show InChI InChI=1S/C23H23N5O5S2/c1-29-15-8-18(32-12-14-13-34-21(24-14)27-4-3-6-31-7-5-27)16-10-20(33-19(16)9-15)17-11-28-22(25-17)35-23(26-28)30-2/h8-11,13H,3-7,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176104 (US10047103, 137 | US9688695, 137) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(O)(c3ccccc3)C(F)(F)F)cc(OC)cc2o1 Show InChI InChI=1S/C26H19F3N4O5S2/c1-35-16-8-19(17-10-21(38-20(17)9-16)18-11-33-23(31-18)40-24(32-33)36-2)37-12-15-13-39-22(30-15)25(34,26(27,28)29)14-6-4-3-5-7-14/h3-11,13,34H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176108 (US10047103, 141 | US9688695, 141) Show SMILES CCC(F)(CC)c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1 Show InChI InChI=1S/C23H23FN4O4S2/c1-5-23(24,6-2)20-25-13(12-33-20)11-31-17-7-14(29-3)8-18-15(17)9-19(32-18)16-10-28-21(26-16)34-22(27-28)30-4/h7-10,12H,5-6,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176070 (US10047103, 103 | US9688695, 103) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCC4(CC3)OCCO4)cc(OC)cc2o1 Show InChI InChI=1S/C25H25N5O6S2/c1-31-16-9-19(17-11-21(36-20(17)10-16)18-12-30-23(27-18)38-24(28-30)32-2)33-13-15-14-37-22(26-15)29-5-3-25(4-6-29)34-7-8-35-25/h9-12,14H,3-8,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176186 (US10047103, 219 | US9688695, 219) Show SMILES COc1cc(OCc2csc(n2)-c2ccc3OCOc3c2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1 Show InChI InChI=1S/C27H20N4O5S/c1-15-3-6-26-29-20(11-31(26)30-15)24-10-19-22(8-18(32-2)9-23(19)36-24)33-12-17-13-37-27(28-17)16-4-5-21-25(7-16)35-14-34-21/h3-11,13H,12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176085 (US10047103, 118 | US9688695, 118) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCOCC3)cc(OC)cc2o1 Show InChI InChI=1S/C23H22N4O6S2/c1-29-14-7-17(32-11-13-12-34-20(24-13)23(28)3-5-31-6-4-23)15-9-19(33-18(15)8-14)16-10-27-21(25-16)35-22(26-27)30-2/h7-10,12,28H,3-6,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176118 (US10047103, 151 | US9688695, 151) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC(CC3)C(=O)N3CCCC3)cc(OC)cc2o1 Show InChI InChI=1S/C29H31N5O6S2/c1-37-19-11-22(20-13-24(40-23(20)12-19)21-14-34-27(31-21)42-28(32-34)38-2)39-15-18-16-41-26(30-18)29(36)7-5-17(6-8-29)25(35)33-9-3-4-10-33/h11-14,16-17,36H,3-10,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176106 (US10047103, 139 | US9688695, 139) Show SMILES CCC(F)(c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1)C(F)(F)F Show InChI InChI=1S/C22H18F4N4O4S2/c1-4-21(23,22(24,25)26)18-27-11(10-35-18)9-33-15-5-12(31-2)6-16-13(15)7-17(34-16)14-8-30-19(28-14)36-20(29-30)32-3/h5-8,10H,4,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176128 (US10047103, 161 | US9688695, 161) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1 Show InChI InChI=1S/C32H31N5O6S2/c1-36(2)28(38)19-5-7-20(8-6-19)32(9-11-41-12-10-32)29-33-21(18-44-29)17-42-25-13-22(39-3)14-26-23(25)15-27(43-26)24-16-37-30(34-24)45-31(35-37)40-4/h5-8,13-16,18H,9-12,17H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176088 (US10047103, 121 | US9688695, 121) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CC(C)OC(C)C3)cc(OC)cc2o1 Show InChI InChI=1S/C25H26N4O6S2/c1-13-8-25(30,9-14(2)34-13)22-26-15(12-36-22)11-33-19-5-16(31-3)6-20-17(19)7-21(35-20)18-10-29-23(27-18)37-24(28-29)32-4/h5-7,10,12-14,30H,8-9,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176060 (US10047103, 93 | US9688695, 93) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CC4CCC(C3)O4)cc(OC)cc2o1 Show InChI InChI=1S/C25H25N5O5S2/c1-13-19(27-23(36-13)29-9-14-4-5-15(10-29)34-14)12-33-20-6-16(31-2)7-21-17(20)8-22(35-21)18-11-30-24(26-18)37-25(28-30)32-3/h6-8,11,14-15H,4-5,9-10,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176159 (US10047103, 192 | US9688695, 192) Show SMILES COc1cc(OCc2csc(n2)-c2ccccc2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F |r| Show InChI InChI=1S/C25H19FN4O3S2/c1-14(26)23-29-30-11-19(28-25(30)35-23)22-10-18-20(8-17(31-2)9-21(18)33-22)32-12-16-13-34-24(27-16)15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176119 (US10047103, 152 | US9688695, 152) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC(CC3)C(=O)N(C)CC#N)cc(OC)cc2o1 |(-13.84,-1.72,;-13.07,-.38,;-11.4,-.38,;-10.49,.86,;-9.03,.38,;-7.57,.86,;-6.66,-.38,;-7.57,-1.63,;-9.03,-1.16,;-10.49,-1.63,;-5.1,-.38,;-4.19,.86,;-2.73,.38,;-1.39,1.15,;-1.39,2.69,;-.06,3.46,;1.27,2.69,;1.27,1.15,;2.74,.68,;3.64,1.92,;2.74,3.17,;5.37,1.92,;4.6,.59,;6.14,.59,;7.68,.59,;8.45,1.92,;7.68,3.25,;6.14,3.25,;9.99,1.92,;10.76,3.25,;10.76,.59,;9.99,-.75,;12.3,.59,;13.07,-.75,;13.84,-2.08,;-.06,.38,;-.06,-1.16,;1.27,-1.92,;1.27,-3.46,;-1.39,-1.92,;-2.73,-1.16,;-4.19,-1.63,)| Show InChI InChI=1S/C28H28N6O6S2/c1-33(9-8-29)24(35)16-4-6-28(36,7-5-16)25-30-17(15-41-25)14-39-21-10-18(37-2)11-22-19(21)12-23(40-22)20-13-34-26(31-20)42-27(32-34)38-3/h10-13,15-16,36H,4-7,9,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176082 (US10047103, 115 | US9688695, 115) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3CCC(F)(F)CC3)cc(OC)cc2o1 Show InChI InChI=1S/C24H22F2N4O4S2/c1-31-15-7-18(33-11-14-12-35-21(27-14)13-3-5-24(25,26)6-4-13)16-9-20(34-19(16)8-15)17-10-30-22(28-17)36-23(29-30)32-2/h7-10,12-13H,3-6,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176112 (US10047103, 145 | US9688695, 145) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(O)(c3ccc(Cl)cc3)C(F)(F)F)cc(OC)cc2o1 Show InChI InChI=1S/C26H18ClF3N4O5S2/c1-36-16-7-19(17-9-21(39-20(17)8-16)18-10-34-23(32-18)41-24(33-34)37-2)38-11-15-12-40-22(31-15)25(35,26(28,29)30)13-3-5-14(27)6-4-13/h3-10,12,35H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176000 (US10047103, 33 | US9605024, Example 33 | US9688695...) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3cc(C)on3)cc(OC)cc2o1 Show InChI InChI=1S/C22H17N5O5S2/c1-11-4-15(26-32-11)20-23-12(10-33-20)9-30-17-5-13(28-2)6-18-14(17)7-19(31-18)16-8-27-21(24-16)34-22(25-27)29-3/h4-8,10H,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM175969 (US10047103, 2 | US9605024, Example 2 | US9688695, ...) Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(F)(F)F)cc(OC)cc2o1 Show InChI InChI=1S/C19H13F3N4O4S2/c1-27-10-3-13(29-7-9-8-31-16(23-9)19(20,21)22)11-5-15(30-14(11)4-10)12-6-26-17(24-12)32-18(25-26)28-2/h3-6,8H,7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of HIV integrase				Bioorg Med Chem Lett 16: 2920-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.010 BindingDB Entry DOI: 10.7270/Q2BV7HDK
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061136 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C61H95NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-55(70-46-51-38-30-27-31-39-51)54(62-57(63)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)49-73-61-60(72-48-53-42-34-29-35-43-53)59(71-47-52-40-32-28-33-41-52)58(76-78(67,68)69)56(75-61)50-74-77(64,65)66/h27-36,38-44,54-56,58-61H,3-26,37,45-50H2,1-2H3,(H,62,63)(H,64,65,66)(H,67,68,69)/p-2/b44-36+/t54-,55+,56?,58?,59?,60?,61?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50369315 (CHEMBL1627019) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-52-40-39(55-57(49,50)51)38(54-56(46,47)48)37(45)35(31-42)53-40/h27,29,33-35,37-40,42-43,45H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061124 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C47H83NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(58-37-39-32-28-27-29-33-39)40(48-43(50)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)38-59-47-46(62-64(55,56)57)45(61-63(52,53)54)44(51)42(36-49)60-47/h27-30,32-34,40-42,44-47,49,51H,3-26,31,35-38H2,1-2H3,(H,48,50)(H,52,53,54)(H,55,56,57)/p-2/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061130 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC2COC(OC2C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)c1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C54H87NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-39-47(63-41-44-35-29-27-30-36-44)46(55-49(56)40-34-26-24-22-20-18-16-14-12-10-8-6-4-2)42-64-54-52(69-71(60,61)62)51(68-70(57,58)59)50-48(66-54)43-65-53(67-50)45-37-31-28-32-38-45/h27-33,35-39,46-48,50-54H,3-26,34,40-43H2,1-2H3,(H,55,56)(H,57,58,59)(H,60,61,62)/p-2/b39-33+/t46-,47+,48?,50?,51?,52?,53?,54?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM176168 (US10047103, 201 | US9688695, 201) Show SMILES COc1cc(OCc2csc(n2)-c2ccccc2)c2nc(oc2c1)-c1cn2nc(SC)sc2n1 Show InChI InChI=1S/C23H17N5O3S3/c1-29-15-8-17(30-11-14-12-33-21(24-14)13-6-4-3-5-7-13)19-18(9-15)31-20(26-19)16-10-28-22(25-16)34-23(27-28)32-2/h3-10,12H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company; Universite de Montreal US Patent					Assay Description The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate ag...				US Patent US10047103 (2018) BindingDB Entry DOI: 10.7270/Q2QF8VWN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184626 (6-(2-chlorophenyl)-2,4,6-trioxohexanoic acid | CHE...) Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1Cl Show InChI InChI=1S/C12H9ClO5/c13-9-4-2-1-3-8(9)10(15)5-7(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of HIV integrase				Bioorg Med Chem Lett 16: 2920-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.010 BindingDB Entry DOI: 10.7270/Q2BV7HDK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				Bioorg Med Chem Lett 16: 2920-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.010 BindingDB Entry DOI: 10.7270/Q2BV7HDK
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061125 ((2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C47H83NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(56-36-39-32-28-27-29-33-39)40(37-57-47-46(52)45(51)44(50)42(59-47)38-58-60(53,54)55)48-43(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30,32-34,40-42,44-47,50-52H,3-26,31,35-38H2,1-2H3,(H,48,49)(H,53,54,55)/p-1/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair

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