Compile Data Set for Download or QSAR
Found 17 Enz. Inhib. hit(s) with all data for entry = 50029718
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287226((S)-5-Oxo-5-[4-(3-piperidin-4-yl-propyl)-piperidin...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)C(O)=O
Show InChI InChI=1S/C27H43N3O5S/c1-2-4-21-7-9-24(10-8-21)36(34,35)29-25(27(32)33)11-12-26(31)30-19-15-23(16-20-30)6-3-5-22-13-17-28-18-14-22/h7-10,22-23,25,28-29H,2-6,11-20H2,1H3,(H,32,33)/t25-/m0/s1
Affinity DataIC50: 10nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287220((S)-5-Oxo-2-phenylmethanesulfonylamino-5-[4-(3-pip...)
Show SMILES OC(=O)[C@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H39N3O5S/c29-24(28-17-13-21(14-18-28)8-4-7-20-11-15-26-16-12-20)10-9-23(25(30)31)27-34(32,33)19-22-5-2-1-3-6-22/h1-3,5-6,20-21,23,26-27H,4,7-19H2,(H,30,31)/t23-/m0/s1
Affinity DataIC50: 20nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287231((S)-2-Benzenesulfonylamino-5-oxo-5-[4-(3-piperidin...)
Show SMILES OC(=O)[C@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H37N3O5S/c28-23(10-9-22(24(29)30)26-33(31,32)21-7-2-1-3-8-21)27-17-13-20(14-18-27)6-4-5-19-11-15-25-16-12-19/h1-3,7-8,19-20,22,25-26H,4-6,9-18H2,(H,29,30)/t22-/m0/s1
Affinity DataIC50: 30nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287219((S)-2-(Biphenyl-4-sulfonylamino)-5-oxo-5-[4-(3-pip...)
Show SMILES OC(=O)[C@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H41N3O5S/c34-29(33-21-17-24(18-22-33)6-4-5-23-15-19-31-20-16-23)14-13-28(30(35)36)32-39(37,38)27-11-9-26(10-12-27)25-7-2-1-3-8-25/h1-3,7-12,23-24,28,31-32H,4-6,13-22H2,(H,35,36)/t28-/m0/s1
Affinity DataIC50: 30nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287217((S)-2-(Naphthalene-2-sulfonylamino)-5-oxo-5-[4-(3-...)
Show SMILES OC(=O)[C@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H39N3O5S/c32-27(31-18-14-22(15-19-31)5-3-4-21-12-16-29-17-13-21)11-10-26(28(33)34)30-37(35,36)25-9-8-23-6-1-2-7-24(23)20-25/h1-2,6-9,20-22,26,29-30H,3-5,10-19H2,(H,33,34)/t26-/m0/s1
Affinity DataIC50: 40nMAssay Description:Affinity for human endothelin B receptor expressed in CHO-K1 cells.More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287222((S)-2-(Naphthalene-1-sulfonylamino)-5-oxo-5-[4-(3-...)
Show SMILES OC(=O)[C@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H39N3O5S/c32-27(31-19-15-22(16-20-31)6-3-5-21-13-17-29-18-14-21)12-11-25(28(33)34)30-37(35,36)26-10-4-8-23-7-1-2-9-24(23)26/h1-2,4,7-10,21-22,25,29-30H,3,5-6,11-20H2,(H,33,34)/t25-/m0/s1
Affinity DataIC50: 40nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287225((S)-2-(Octane-1-sulfonylamino)-5-oxo-5-[4-(3-piper...)
Show SMILES CCCCCCCCS(=O)(=O)N[C@@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)C(O)=O
Show InChI InChI=1S/C26H49N3O5S/c1-2-3-4-5-6-7-21-35(33,34)28-24(26(31)32)11-12-25(30)29-19-15-23(16-20-29)10-8-9-22-13-17-27-18-14-22/h22-24,27-28H,2-21H2,1H3,(H,31,32)/t24-/m0/s1
Affinity DataIC50: 70nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287218((S)-2-(Butane-1-sulfonylamino)-5-oxo-5-[4-(3-piper...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)C(O)=O
Show InChI InChI=1S/C22H41N3O5S/c1-2-3-17-31(29,30)24-20(22(27)28)7-8-21(26)25-15-11-19(12-16-25)6-4-5-18-9-13-23-14-10-18/h18-20,23-24H,2-17H2,1H3,(H,27,28)/t20-/m0/s1
Affinity DataIC50: 110nMAssay Description:Inhibition of ET- 1 stimulated arachidonic acid release (AAR) in cultured rabbit renal vascular smooth muscle cells expressing the endothelin A recep...More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287221((R)-4-(Butane-1-sulfonylamino)-5-oxo-5-[4-(3-piper...)
Show SMILES CCCCS(=O)(=O)N[C@H](CCC(O)=O)C(=O)N1CCC(CCCC2CCNCC2)CC1
Show InChI InChI=1S/C22H41N3O5S/c1-2-3-17-31(29,30)24-20(7-8-21(26)27)22(28)25-15-11-19(12-16-25)6-4-5-18-9-13-23-14-10-18/h18-20,23-24H,2-17H2,1H3,(H,26,27)/t20-/m1/s1
Affinity DataIC50: 130nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287215((S)-5-Oxo-2-pentanoylamino-5-[4-(3-piperidin-4-yl-...)
Show SMILES CCCCC(=O)N[C@@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)C(O)=O
Show InChI InChI=1S/C23H41N3O4/c1-2-3-7-21(27)25-20(23(29)30)8-9-22(28)26-16-12-19(13-17-26)6-4-5-18-10-14-24-15-11-18/h18-20,24H,2-17H2,1H3,(H,25,27)(H,29,30)/t20-/m0/s1
Affinity DataIC50: 250nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287224(3-(Butane-1-sulfonylamino)-5-oxo-5-[4-(3-piperidin...)
Show SMILES CCCCS(=O)(=O)NC(CC(O)=O)CC(=O)N1CCC(CCCC2CCNCC2)CC1
Show InChI InChI=1S/C22H41N3O5S/c1-2-3-15-31(29,30)24-20(17-22(27)28)16-21(26)25-13-9-19(10-14-25)6-4-5-18-7-11-23-12-8-18/h18-20,23-24H,2-17H2,1H3,(H,27,28)
Affinity DataIC50: 950nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287223(5-Oxo-5-[4-(3-piperidin-4-yl-propyl)-piperidin-1-y...)
Show SMILES OC(=O)CCCC(=O)N1CCC(CCCC2CCNCC2)CC1
Show InChI InChI=1S/C18H32N2O3/c21-17(5-2-6-18(22)23)20-13-9-16(10-14-20)4-1-3-15-7-11-19-12-8-15/h15-16,19H,1-14H2,(H,22,23)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287230(6-Oxo-6-[4-(3-piperidin-4-yl-propyl)-piperidin-1-y...)
Show SMILES OC(=O)CCCCC(=O)N1CCC(CCCC2CCNCC2)CC1
Show InChI InChI=1S/C19H34N2O3/c22-18(6-1-2-7-19(23)24)21-14-10-17(11-15-21)5-3-4-16-8-12-20-13-9-16/h16-17,20H,1-15H2,(H,23,24)
Affinity DataIC50: 6.70E+3nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287228((S)-5-Oxo-2-pentylamino-5-[4-(3-piperidin-4-yl-pro...)
Show SMILES CCCCCN[C@@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)C(O)=O
Show InChI InChI=1S/C23H43N3O3/c1-2-3-4-14-25-21(23(28)29)8-9-22(27)26-17-12-20(13-18-26)7-5-6-19-10-15-24-16-11-19/h19-21,24-25H,2-18H2,1H3,(H,28,29)/t21-/m0/s1
Affinity DataIC50: 8.40E+3nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287227((R)-2-(Butane-1-sulfonylamino)-5-oxo-5-[4-(3-piper...)
Show SMILES CCCCS(=O)(=O)N[C@H](CCC(=O)N1CCC(CCCC2CCNCC2)CC1)C(O)=O
Show InChI InChI=1S/C22H41N3O5S/c1-2-3-17-31(29,30)24-20(22(27)28)7-8-21(26)25-15-11-19(12-16-25)6-4-5-18-9-13-23-14-10-18/h18-20,23-24H,2-17H2,1H3,(H,27,28)/t20-/m1/s1
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287216((S)-4-(Butane-1-sulfonylamino)-5-oxo-5-[4-(3-piper...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC(CCCC2CCNCC2)CC1
Show InChI InChI=1S/C22H41N3O5S/c1-2-3-17-31(29,30)24-20(7-8-21(26)27)22(28)25-15-11-19(12-16-25)6-4-5-18-9-13-23-14-10-18/h18-20,23-24H,2-17H2,1H3,(H,26,27)/t20-/m0/s1
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50287229(4-Oxo-4-[4-(3-piperidin-4-yl-propyl)-piperidin-1-y...)
Show SMILES OC(=O)CCC(=O)N1CCC(CCCC2CCNCC2)CC1
Show InChI InChI=1S/C17H30N2O3/c20-16(4-5-17(21)22)19-12-8-15(9-13-19)3-1-2-14-6-10-18-11-7-14/h14-15,18H,1-13H2,(H,21,22)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human plateletsMore data for this Ligand-Target Pair