Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'chang' and Initial = 'ct'   

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
Thymidylate synthase (Lactobacillus casei)	BDBM50022238 ((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O Show InChI InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...				J Med Chem 22: 1137-9 (1979) BindingDB Entry DOI: 10.7270/Q2XK8H3F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Lactobacillus casei)	BDBM50010241 (CHEMBL1234672) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...				J Med Chem 22: 1137-9 (1979) BindingDB Entry DOI: 10.7270/Q2XK8H3F
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50010236 (CHEMBL3144200) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F |r| Show InChI InChI=1S/C10H12F3N2O8P/c11-10(12,13)4-2-15(9(18)14-8(4)17)7-1-5(16)6(23-7)3-22-24(19,20)21/h2,5-7,16H,1,3H2,(H,14,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...				J Med Chem 22: 1137-9 (1979) BindingDB Entry DOI: 10.7270/Q2XK8H3F
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50000038 (CHEMBL3228321) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(S)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H13N2O8PS/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h2,4-5,7,12,21H,1,3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...				J Med Chem 22: 1137-9 (1979) BindingDB Entry DOI: 10.7270/Q2XK8H3F
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50010239 (CHEMBL1236538) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(Cl)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H12ClN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...				J Med Chem 22: 1137-9 (1979) BindingDB Entry DOI: 10.7270/Q2XK8H3F
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50404974 (5-NITRO-DUMP | CHEMBL2051758) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/p-2/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inactivation of thymidylate synthetase measured asKi at 6.8 pH 30 degrees centigrade temp				J Med Chem 26: 1028-36 (1983) BindingDB Entry DOI: 10.7270/Q2VD6XG7
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50027919 (5-fluoro-deoxyuridinemonophosphate | CHEMBL416879) Show SMILES OC1CC(OC1OP([O-])([O-])=O)n1cc(F)c(=O)[nH]c1=O Show InChI InChI=1S/C8H10FN2O8P/c9-3-2-11(8(14)10-6(3)13)5-1-4(12)7(18-5)19-20(15,16)17/h2,4-5,7,12H,1H2,(H,10,13,14)(H2,15,16,17)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inactivation of thymidylate synthetase measured asKi at 6.8 pH 30 degrees centigrade temp				J Med Chem 26: 1028-36 (1983) BindingDB Entry DOI: 10.7270/Q2VD6XG7
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50010240 (CHEMBL3246102) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C#N)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H12N3O8P/c11-2-5-3-13(10(16)12-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h3,6-8,14H,1,4H2,(H,12,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...				J Med Chem 22: 1137-9 (1979) BindingDB Entry DOI: 10.7270/Q2XK8H3F
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50010238 (CHEMBL1160593) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...				J Med Chem 22: 1137-9 (1979) BindingDB Entry DOI: 10.7270/Q2XK8H3F
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50010242 (CHEMBL1160594) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...				J Med Chem 22: 1137-9 (1979) BindingDB Entry DOI: 10.7270/Q2XK8H3F
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50027920 (5-quinonyl-deoxyuridinemonophosphate | CHEMBL8016) Show SMILES OC1CC(OC1OP([O-])([O-])=O)n1cc(C(=O)CBr)c(=O)[nH]c1=O Show InChI InChI=1S/C10H12BrN2O9P/c11-2-6(15)4-3-13(10(17)12-8(4)16)7-1-5(14)9(21-7)22-23(18,19)20/h3,5,7,9,14H,1-2H2,(H,12,16,17)(H2,18,19,20)/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inactivation of thymidylate synthetase measured asKi at 6.8 pH 30 degrees centigrade temp				J Med Chem 26: 1028-36 (1983) BindingDB Entry DOI: 10.7270/Q2VD6XG7
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50000019 (CHEMBL3144338) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1CCC(=O)NC1=O |r| Show InChI InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Lactobacillus casei thymidylate synthetase using dTMP as substrate assessed as release of water after 15 mins by double rec...				J Med Chem 22: 319-21 (1979) BindingDB Entry DOI: 10.7270/Q26111TC
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50404975 (CHEMBL2051976) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(C(=O)CBr)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H14BrN2O9P/c12-2-7(16)5-3-14(11(18)13-10(5)17)9-1-6(15)8(23-9)4-22-24(19,20)21/h3,6,8-9,15H,1-2,4H2,(H,13,17,18)(H2,19,20,21)/p-2/t6-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inactivation of thymidylate synthetase measured as Ki at 6.8 pH 30 degrees centigrade temp				J Med Chem 26: 1028-36 (1983) BindingDB Entry DOI: 10.7270/Q2VD6XG7
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50000019 (CHEMBL3144338) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1CCC(=O)NC1=O |r| Show InChI InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Lactobacillus casei thymidylate synthetase using 2'-deoxy[5-3H]uridine-5'-phosphate as substrate assessed as release of wat...				J Med Chem 22: 319-21 (1979) BindingDB Entry DOI: 10.7270/Q26111TC
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50000034 (CHEMBL3228124) Show SMILES CC1CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O |r| Show InChI InChI=1S/C10H17N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5?,6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Lactobacillus casei thymidylate synthetase using 2'-deoxy[5-3H]uridine-5'-phosphate as substrate assessed as release of wat...				J Med Chem 22: 319-21 (1979) BindingDB Entry DOI: 10.7270/Q26111TC
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50033030 ((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to fibronectin				J Med Chem 38: 3332-41 (1995) BindingDB Entry DOI: 10.7270/Q23N24K4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50033030 ((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen				J Med Chem 38: 3332-41 (1995) BindingDB Entry DOI: 10.7270/Q23N24K4
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50033030 ((R)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES C[C@H](CC(O)=O)NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O Show InChI InChI=1S/C18H31N3O4/c1-13(11-17(23)24)20-16(22)12-21-10-2-3-15(18(21)25)5-4-14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3,(H,20,22)(H,23,24)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human umbilical vein endothelial cell adhesion to vitronectin				J Med Chem 38: 3332-41 (1995) BindingDB Entry DOI: 10.7270/Q23N24K4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004058 ((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...) Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein kinase C zeta type (Rattus norvegicus)	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of protein kinase C				Bioorg Med Chem Lett 9: 2279-82 (1999) BindingDB Entry DOI: 10.7270/Q2MW2K90
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039593 ((S)-3-[4-(4-Piperidin-4-yl-butoxy)-phenyl]-2-(thio...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)c1cccs1 Show InChI InChI=1S/C22H30N2O5S2/c25-22(26)20(24-31(27,28)21-5-3-15-30-21)16-18-6-8-19(9-7-18)29-14-2-1-4-17-10-12-23-13-11-17/h3,5-9,15,17,20,23-24H,1-2,4,10-14,16H2,(H,25,26)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004071 ((S)-2-Phenylmethanesulfonylamino-3-[4-(4-piperidin...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H34N2O5S/c28-25(29)24(27-33(30,31)19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-26-16-14-20/h1-3,7-12,20,24,26-27H,4-6,13-19H2,(H,28,29)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039590 ((S)-2-Benzenesulfonylamino-3-[4-(4-piperidin-4-yl-...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H32N2O5S/c27-24(28)23(26-32(29,30)22-7-2-1-3-8-22)18-20-9-11-21(12-10-20)31-17-5-4-6-19-13-15-25-16-14-19/h1-3,7-12,19,23,25-26H,4-6,13-18H2,(H,27,28)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039592 ((S)-3-[4-(4-Piperidin-4-yl-butoxy)-phenyl]-2-(prop...) Show SMILES CCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C21H34N2O5S/c1-2-15-29(26,27)23-20(21(24)25)16-18-6-8-19(9-7-18)28-14-4-3-5-17-10-12-22-13-11-17/h6-9,17,20,22-23H,2-5,10-16H2,1H3,(H,24,25)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039580 ((S)-2-(2-Phenyl-ethanesulfonylamino)-3-[4-(4-piper...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C26H36N2O5S/c29-26(30)25(28-34(31,32)19-15-21-6-2-1-3-7-21)20-23-9-11-24(12-10-23)33-18-5-4-8-22-13-16-27-17-14-22/h1-3,6-7,9-12,22,25,27-28H,4-5,8,13-20H2,(H,29,30)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004061 ((S)-2-Hexanoylamino-3-[4-(4-piperidin-4-yl-butoxy)...) Show SMILES CCCCCC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C24H38N2O4/c1-2-3-4-8-23(27)26-22(24(28)29)18-20-9-11-21(12-10-20)30-17-6-5-7-19-13-15-25-16-14-19/h9-12,19,22,25H,2-8,13-18H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039576 ((S)-2-((E)-2-Phenyl-ethenesulfonylamino)-3-[4-(4-p...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C26H34N2O5S/c29-26(30)25(28-34(31,32)19-15-21-6-2-1-3-7-21)20-23-9-11-24(12-10-23)33-18-5-4-8-22-13-16-27-17-14-22/h1-3,6-7,9-12,15,19,22,25,27-28H,4-5,8,13-14,16-18,20H2,(H,29,30)/b19-15+/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039572 ((S)-2-Pentanoylamino-3-[4-(4-piperidin-4-yl-butoxy...) Show SMILES CCCCC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C23H36N2O4/c1-2-3-7-22(26)25-21(23(27)28)17-19-8-10-20(11-9-19)29-16-5-4-6-18-12-14-24-15-13-18/h8-11,18,21,24H,2-7,12-17H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039591 ((S)-2-Methanesulfonylamino-3-[4-(4-piperidin-4-yl-...) Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C19H30N2O5S/c1-27(24,25)21-18(19(22)23)14-16-5-7-17(8-6-16)26-13-3-2-4-15-9-11-20-12-10-15/h5-8,15,18,20-21H,2-4,9-14H2,1H3,(H,22,23)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039595 ((S)-2-(3-Phenyl-propionylamino)-3-[4-(4-piperidin-...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)CCc1ccccc1 Show InChI InChI=1S/C27H36N2O4/c30-26(14-11-21-6-2-1-3-7-21)29-25(27(31)32)20-23-9-12-24(13-10-23)33-19-5-4-8-22-15-17-28-18-16-22/h1-3,6-7,9-10,12-13,22,25,28H,4-5,8,11,14-20H2,(H,29,30)(H,31,32)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039570 ((S)-3-[4-(4-Piperidin-4-yl-butoxy)-phenyl]-2-propi...) Show SMILES CCC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C21H32N2O4/c1-2-20(24)23-19(21(25)26)15-17-6-8-18(9-7-17)27-14-4-3-5-16-10-12-22-13-11-16/h6-9,16,19,22H,2-5,10-15H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039569 ((S)-3-(Butane-1-sulfonylamino)-4-[4-(4-piperidin-4...) Show SMILES CCCCS(=O)(=O)N[C@H](CC(O)=O)Cc1ccc(OCCCCC2CCNCC2)cc1 Show InChI InChI=1S/C23H38N2O5S/c1-2-3-16-31(28,29)25-21(18-23(26)27)17-20-7-9-22(10-8-20)30-15-5-4-6-19-11-13-24-14-12-19/h7-10,19,21,24-25H,2-6,11-18H2,1H3,(H,26,27)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039586 ((S)-2-Benzyloxycarbonylamino-3-[4-((E)-4-piperidin...) Show SMILES OC(=O)[C@H](Cc1ccc(OC\C=C\CC2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H32N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-5,7-12,20,24,27H,6,13-19H2,(H,28,31)(H,29,30)/b5-4+/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004060 ((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperidin-4-y...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H34N2O5/c29-25(30)24(28-26(31)33-19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-27-16-14-20/h1-3,7-12,20,24,27H,4-6,13-19H2,(H,28,31)(H,29,30)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Rattus norvegicus)	BDBM50217039 (CHEMBL420938) Show SMILES OCc1csc(c1)-c1ccc(s1)-c1ccc(C=O)s1 Show InChI InChI=1S/C14H10O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-5,7-8,15H,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of protein kinase C				Bioorg Med Chem Lett 9: 2279-82 (1999) BindingDB Entry DOI: 10.7270/Q2MW2K90
					More data for this Ligand-Target Pair
Oxoeicosanoid receptor 1 (Homo sapiens (Human))	BDBM50431178 (CHEMBL2332562) Show SMILES OC(=O)CCCC(=O)n1ccc2ccc(Cl)cc12 Show InChI InChI=1S/C13H12ClNO3/c14-10-5-4-9-6-7-15(11(9)8-10)12(16)2-1-3-13(17)18/h4-8H,1-3H2,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Florida Institute of Technology Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor in human neutrophils assessed as 5-oxo-ETE-induced Ca2+ mobilization incubated for 2 mins prior to 5-oxo-ETE addi...				J Med Chem 56: 3725-32 (2013) Article DOI: 10.1021/jm400480j BindingDB Entry DOI: 10.7270/Q2RB75XQ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039588 ((S)-2-Benzyloxycarbonylamino-3-[4-(4-piperazin-1-y...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCN2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H33N3O5/c29-24(30)23(27-25(31)33-19-21-6-2-1-3-7-21)18-20-8-10-22(11-9-20)32-17-5-4-14-28-15-12-26-13-16-28/h1-3,6-11,23,26H,4-5,12-19H2,(H,27,31)(H,29,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039597 ((S)-2-Acetylamino-3-[4-(4-piperidin-4-yl-butoxy)-p...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C20H30N2O4/c1-15(23)22-19(20(24)25)14-17-5-7-18(8-6-17)26-13-3-2-4-16-9-11-21-12-10-16/h5-8,16,19,21H,2-4,9-14H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039568 ((S)-3-(Butane-1-sulfonylamino)-4-[4-(3-piperidin-4...) Show SMILES CCCCS(=O)(=O)N[C@H](CC(O)=O)Cc1ccc(OCCCC2CCNCC2)cc1 Show InChI InChI=1S/C22H36N2O5S/c1-2-3-15-30(27,28)24-20(17-22(25)26)16-19-6-8-21(9-7-19)29-14-4-5-18-10-12-23-13-11-18/h6-9,18,20,23-24H,2-5,10-17H2,1H3,(H,25,26)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039601 ((4S,7R,13R,16S)-16-Acetylamino-7-carboxymethyl-13-...) Show SMILES CC(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(O)=O Show InChI InChI=1S/C20H32N8O9S2/c1-9(29)25-12-7-38-39-8-13(19(36)37)28-17(34)11(5-15(31)32)26-14(30)6-24-16(33)10(27-18(12)35)3-2-4-23-20(21)22/h10-13H,2-8H2,1H3,(H,24,33)(H,25,29)(H,26,30)(H,27,35)(H,28,34)(H,31,32)(H,36,37)(H4,21,22,23)/t10-,11-,12-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Rattus norvegicus)	BDBM50217036 (CHEMBL74983) Show SMILES O=Cc1csc(c1)-c1ccc(s1)-c1ccc(C=O)s1 Show InChI InChI=1S/C14H8O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of protein kinase C				Bioorg Med Chem Lett 9: 2279-82 (1999) BindingDB Entry DOI: 10.7270/Q2MW2K90
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004065 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-(butane-1-su...) Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCCCN)cc1)C(O)=O Show InChI InChI=1S/C19H32N2O5S/c1-2-3-14-27(24,25)21-18(19(22)23)15-16-8-10-17(11-9-16)26-13-7-5-4-6-12-20/h8-11,18,21H,2-7,12-15,20H2,1H3,(H,22,23)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039584 ((R)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4...) Show SMILES CCCCS(=O)(=O)N[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039577 ((S)-3-Benzyloxycarbonylamino-4-[4-(3-piperidin-4-y...) Show SMILES OC(=O)C[C@H](Cc1ccc(OCCCC2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H34N2O5/c29-25(30)18-23(28-26(31)33-19-22-5-2-1-3-6-22)17-21-8-10-24(11-9-21)32-16-4-7-20-12-14-27-15-13-20/h1-3,5-6,8-11,20,23,27H,4,7,12-19H2,(H,28,31)(H,29,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039571 ((S)-2-Benzyloxycarbonylamino-3-[4-(5-piperazin-1-y...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCCN2CCNCC2)cc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H35N3O5/c30-25(31)24(28-26(32)34-20-22-7-3-1-4-8-22)19-21-9-11-23(12-10-21)33-18-6-2-5-15-29-16-13-27-14-17-29/h1,3-4,7-12,24,27H,2,5-6,13-20H2,(H,28,32)(H,30,31)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Oxoeicosanoid receptor 1 (Homo sapiens (Human))	BDBM50431179 (CHEMBL2332561) Show SMILES OC(=O)CCCC(=O)n1ccc2cc(Cl)ccc12 Show InChI InChI=1S/C13H12ClNO3/c14-10-4-5-11-9(8-10)6-7-15(11)12(16)2-1-3-13(17)18/h4-8H,1-3H2,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Florida Institute of Technology Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor in human neutrophils assessed as 5-oxo-ETE-induced Ca2+ mobilization incubated for 2 mins prior to 5-oxo-ETE addi...				J Med Chem 56: 3725-32 (2013) Article DOI: 10.1021/jm400480j BindingDB Entry DOI: 10.7270/Q2RB75XQ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039581 ((S)-2-Hexanoylamino-3-[4-(5-piperidin-4-yl-pentyl)...) Show SMILES CCCCCC(=O)N[C@@H](Cc1ccc(CCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C25H40N2O3/c1-2-3-5-10-24(28)27-23(25(29)30)19-22-13-11-20(12-14-22)8-6-4-7-9-21-15-17-26-18-16-21/h11-14,21,23,26H,2-10,15-19H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Oxoeicosanoid receptor 1 (Homo sapiens (Human))	BDBM50431184 (CHEMBL2332567) Show SMILES CCCCCCc1cc2ccccc2n1C(=O)CCCC(O)=O Show InChI InChI=1S/C19H25NO3/c1-2-3-4-5-10-16-14-15-9-6-7-11-17(15)20(16)18(21)12-8-13-19(22)23/h6-7,9,11,14H,2-5,8,10,12-13H2,1H3,(H,22,23)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Florida Institute of Technology Curated by ChEMBL					Assay Description Antagonist activity at OXE receptor in human neutrophils assessed as 5-oxo-ETE-induced Ca2+ mobilization incubated for 2 mins prior to 5-oxo-ETE addi...				J Med Chem 56: 3725-32 (2013) Article DOI: 10.1021/jm400480j BindingDB Entry DOI: 10.7270/Q2RB75XQ
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50039573 (2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butyl...) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C23H32N8O7/c24-14(5-3-7-27-23(25)26)20(35)29-11-18(32)30-16(9-19(33)34)21(36)31-17(22(37)38)8-12-10-28-15-6-2-1-4-13(12)15/h1-2,4,6,10,14,16-17,28H,3,5,7-9,11,24H2,(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H,37,38)(H4,25,26,27)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004066 ((S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-phenylmethan...) Show SMILES NCCCCCCOc1ccc(C[C@H](NS(=O)(=O)Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C22H30N2O5S/c23-14-6-1-2-7-15-29-20-12-10-18(11-13-20)16-21(22(25)26)24-30(27,28)17-19-8-4-3-5-9-19/h3-5,8-13,21,24H,1-2,6-7,14-17,23H2,(H,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair

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