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PubMed code 10633037

Compile data set for download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083811
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C26H31N7O5S/c1-16-11-17(2)23(18(3)12-16)39(37,38)32-21(25(35)36)15-30-24(34)19-5-6-22-20(13-19)14-31-33(22)10-4-7-27-26-28-8-9-29-26/h5-6,8-9,11-14,21,32H,4,7,10,15H2,1-3H3,(H,30,34)(H,35,36)(H2,27,28,29)/t21-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083839
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNC3=NCCN3)ncc2c1)NC(=O)OCc1ccccc1 |t:17|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-15-20(23(34)35)31-25(36)37-16-17-5-2-1-3-6-17)18-7-8-21-19(13-18)14-30-32(21)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13-14,20H,4,9-12,15-16H2,(H,29,33)(H,31,36)(H,34,35)(H2,26,27,28)/t20-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbition of Vitronectin receptor (alpha V beta 3) binding

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083823
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H27N7O5S/c35-25(20-7-9-24-21(14-20)16-32-34(24)13-3-10-28-27-29-11-12-30-27)31-17-23(26(36)37)33-40(38,39)22-8-6-18-4-1-2-5-19(18)15-22/h1-2,4-9,11-12,14-16,23,33H,3,10,13,17H2,(H,31,35)(H,36,37)(H2,28,29,30)/t23-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083797
PNG
(2-(3,5-Dimethyl-biphenyl-4-sulfonylamino)-3-({1-[3...)
Show SMILES Cc1cc(cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C31H33N7O5S/c1-20-15-24(22-7-4-3-5-8-22)16-21(2)28(20)44(42,43)37-26(30(40)41)19-35-29(39)23-9-10-27-25(17-23)18-36-38(27)14-6-11-32-31-33-12-13-34-31/h3-5,7-10,12-13,15-18,26,37H,6,11,14,19H2,1-2H3,(H,35,39)(H,40,41)(H2,32,33,34)/t26-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083803
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccc2n(CCCNC3=NCCN3)ncc12)NC(=O)OCc1ccccc1 |t:18|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-15-20(23(34)35)31-25(36)37-16-17-6-2-1-3-7-17)18-8-4-9-21-19(18)14-30-32(21)13-5-10-26-24-27-11-12-28-24/h1-4,6-9,14,20H,5,10-13,15-16H2,(H,29,33)(H,31,36)(H,34,35)(H2,26,27,28)/t20-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbition of Vitronectin receptor (alpha V beta 3) binding

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083836
PNG
(2-(2,6-Dichloro-benzenesulfonylamino)-3-({1-[3-(1H...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H23Cl2N7O5S/c24-16-3-1-4-17(25)20(16)38(36,37)31-18(22(34)35)13-29-21(33)14-5-6-19-15(11-14)12-30-32(19)10-2-7-26-23-27-8-9-28-23/h1,3-6,8-9,11-12,18,31H,2,7,10,13H2,(H,29,33)(H,34,35)(H2,26,27,28)/t18-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083807
PNG
(2-(3,4-Dichloro-benzenesulfonylamino)-3-({1-[3-(1H...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H23Cl2N7O5S/c24-17-4-3-16(11-18(17)25)38(36,37)31-19(22(34)35)13-29-21(33)14-2-5-20-15(10-14)12-30-32(20)9-1-6-26-23-27-7-8-28-23/h2-5,7-8,10-12,19,31H,1,6,9,13H2,(H,29,33)(H,34,35)(H2,26,27,28)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083837
PNG
(2-(4-Chloro-benzenesulfonylamino)-3-({1-[3-(1H-imi...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN7O5S/c24-17-3-5-18(6-4-17)37(35,36)30-19(22(33)34)14-28-21(32)15-2-7-20-16(12-15)13-29-31(20)11-1-8-25-23-26-9-10-27-23/h2-7,9-10,12-13,19,30H,1,8,11,14H2,(H,28,32)(H,33,34)(H2,25,26,27)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083810
PNG
(2-(2,6-Dimethyl-benzenesulfonylamino)-3-({1-[3-(1H...)
Show SMILES Cc1cccc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C25H29N7O5S/c1-16-5-3-6-17(2)22(16)38(36,37)31-20(24(34)35)15-29-23(33)18-7-8-21-19(13-18)14-30-32(21)12-4-9-26-25-27-10-11-28-25/h3,5-8,10-11,13-14,20,31H,4,9,12,15H2,1-2H3,(H,29,33)(H,34,35)(H2,26,27,28)/t20-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083836
PNG
(2-(2,6-Dichloro-benzenesulfonylamino)-3-({1-[3-(1H...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H23Cl2N7O5S/c24-16-3-1-4-17(25)20(16)38(36,37)31-18(22(34)35)13-29-21(33)14-5-6-19-15(11-14)12-30-32(19)10-2-7-26-23-27-8-9-28-23/h1,3-6,8-9,11-12,18,31H,2,7,10,13H2,(H,29,33)(H,34,35)(H2,26,27,28)/t18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083812
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H27N7O5S/c35-25(19-9-10-23-20(15-19)16-32-34(23)14-4-11-28-27-29-12-13-30-27)31-17-22(26(36)37)33-40(38,39)24-8-3-6-18-5-1-2-7-21(18)24/h1-3,5-10,12-13,15-16,22,33H,4,11,14,17H2,(H,31,35)(H,36,37)(H2,28,29,30)/t22-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083833
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C24H27N7O5S/c1-16-3-6-19(7-4-16)37(35,36)30-20(23(33)34)15-28-22(32)17-5-8-21-18(13-17)14-29-31(21)12-2-9-25-24-26-10-11-27-24/h3-8,10-11,13-14,20,30H,2,9,12,15H2,1H3,(H,28,32)(H,33,34)(H2,25,26,27)/t20-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083811
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C26H31N7O5S/c1-16-11-17(2)23(18(3)12-16)39(37,38)32-21(25(35)36)15-30-24(34)19-5-6-22-20(13-19)14-31-33(22)10-4-7-27-26-28-8-9-29-26/h5-6,8-9,11-14,21,32H,4,7,10,15H2,1-3H3,(H,30,34)(H,35,36)(H2,27,28,29)/t21-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083802
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1cccc2n(CCCNc3ncc[nH]3)ncc12)C(O)=O
Show InChI InChI=1S/C26H31N7O5S/c1-16-12-17(2)23(18(3)13-16)39(37,38)32-21(25(35)36)15-30-24(34)19-6-4-7-22-20(19)14-31-33(22)11-5-8-27-26-28-9-10-29-26/h4,6-7,9-10,12-14,21,32H,5,8,11,15H2,1-3H3,(H,30,34)(H,35,36)(H2,27,28,29)/t21-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alphaV-beta3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083793
PNG
(2-Benzyloxycarbonylamino-3-({2-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccc2cn(CCCNC3=NCCN3)nc2c1)NC(=O)OCc1ccccc1 |t:18|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-14-21(23(34)35)30-25(36)37-16-17-5-2-1-3-6-17)18-7-8-19-15-32(31-20(19)13-18)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13,15,21H,4,9-12,14,16H2,(H,29,33)(H,30,36)(H,34,35)(H2,26,27,28)/t21-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbition of Vitronectin receptor (alpha V beta 3) binding

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083809
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C24H27N7O6S/c1-37-18-4-6-19(7-5-18)38(35,36)30-20(23(33)34)15-28-22(32)16-3-8-21-17(13-16)14-29-31(21)12-2-9-25-24-26-10-11-27-24/h3-8,10-11,13-14,20,30H,2,9,12,15H2,1H3,(H,28,32)(H,33,34)(H2,25,26,27)/t20-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083814
PNG
(3-({1-[3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNC3=NCCCN3)ncc2c1)C(O)=O |t:28|
Show InChI InChI=1S/C27H35N7O5S/c1-17-12-18(2)24(19(3)13-17)40(38,39)33-22(26(36)37)16-31-25(35)20-6-7-23-21(14-20)15-32-34(23)11-5-10-30-27-28-8-4-9-29-27/h6-7,12-15,22,33H,4-5,8-11,16H2,1-3H3,(H,31,35)(H,36,37)(H2,28,29,30)/t22-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of adhesion of integrin beta3-transfected HEK293 cells to fibrinogen

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083785
PNG
(3-({5-[3-(1H-Imidazol-2-ylcarbamoyl)-propyl]-4,5-d...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCC(=O)Nc2ncc[nH]2)C1)C(O)=O |t:19|
Show InChI InChI=1S/C23H30N6O7S/c1-13-9-14(2)20(15(3)10-13)37(34,35)29-18(22(32)33)12-26-21(31)17-11-16(36-28-17)5-4-6-19(30)27-23-24-7-8-25-23/h7-10,16,18,29H,4-6,11-12H2,1-3H3,(H,26,31)(H,32,33)(H2,24,25,27,30)/t16?,18-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083799
PNG
(2-Benzenesulfonylamino-3-({1-[3-(1H-imidazol-2-yla...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H25N7O5S/c31-21(27-15-19(22(32)33)29-36(34,35)18-5-2-1-3-6-18)16-7-8-20-17(13-16)14-28-30(20)12-4-9-24-23-25-10-11-26-23/h1-3,5-8,10-11,13-14,19,29H,4,9,12,15H2,(H,27,31)(H,32,33)(H2,24,25,26)/t19-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083805
PNG
(2-(Biphenyl-4-sulfonylamino)-3-({1-[3-(1H-imidazol...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N7O5S/c37-27(22-9-12-26-23(17-22)18-34-36(26)16-4-13-30-29-31-14-15-32-29)33-19-25(28(38)39)35-42(40,41)24-10-7-21(8-11-24)20-5-2-1-3-6-20/h1-3,5-12,14-15,17-18,25,35H,4,13,16,19H2,(H,33,37)(H,38,39)(H2,30,31,32)/t25-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083812
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H27N7O5S/c35-25(19-9-10-23-20(15-19)16-32-34(23)14-4-11-28-27-29-12-13-30-27)31-17-22(26(36)37)33-40(38,39)24-8-3-6-18-5-1-2-7-21(18)24/h1-3,5-10,12-13,15-16,22,33H,4,11,14,17H2,(H,31,35)(H,36,37)(H2,28,29,30)/t22-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083799
PNG
(2-Benzenesulfonylamino-3-({1-[3-(1H-imidazol-2-yla...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H25N7O5S/c31-21(27-15-19(22(32)33)29-36(34,35)18-5-2-1-3-6-18)16-7-8-20-17(13-16)14-28-30(20)12-4-9-24-23-25-10-11-26-23/h1-3,5-8,10-11,13-14,19,29H,4,9,12,15H2,(H,27,31)(H,32,33)(H2,24,25,26)/t19-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083813
PNG
(3-({1-[3-(Pyridin-2-ylamino)-propyl]-1H-indazole-5...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C28H32N6O5S/c1-18-13-19(2)26(20(3)14-18)40(38,39)33-23(28(36)37)17-31-27(35)21-8-9-24-22(15-21)16-32-34(24)12-6-11-30-25-7-4-5-10-29-25/h4-5,7-10,13-16,23,33H,6,11-12,17H2,1-3H3,(H,29,30)(H,31,35)(H,36,37)/t23-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083801
PNG
(2-Benzyloxycarbonylamino-3-({1-[2-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCNC3=NCCN3)ncc2c1)NC(=O)OCc1ccccc1 |t:16|
Show InChI InChI=1S/C24H27N7O5/c32-21(28-14-19(22(33)34)30-24(35)36-15-16-4-2-1-3-5-16)17-6-7-20-18(12-17)13-29-31(20)11-10-27-23-25-8-9-26-23/h1-7,12-13,19H,8-11,14-15H2,(H,28,32)(H,30,35)(H,33,34)(H2,25,26,27)/t19-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbition of Vitronectin receptor (alpha V beta 3) binding

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083816
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N7O5S/c25-24(26,27)17-3-5-18(6-4-17)40(38,39)33-19(22(36)37)14-31-21(35)15-2-7-20-16(12-15)13-32-34(20)11-1-8-28-23-29-9-10-30-23/h2-7,9-10,12-13,19,33H,1,8,11,14H2,(H,31,35)(H,36,37)(H2,28,29,30)/t19-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083828
PNG
(2-Benzyloxycarbonylamino-3-({2-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2nn(CCCNC3=NCCN3)cc2c1)NC(=O)OCc1ccccc1 |t:18|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-14-21(23(34)35)30-25(36)37-16-17-5-2-1-3-6-17)18-7-8-20-19(13-18)15-32(31-20)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13,15,21H,4,9-12,14,16H2,(H,29,33)(H,30,36)(H,34,35)(H2,26,27,28)/t21-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbition of Vitronectin receptor (alpha V beta 3) binding

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083794
PNG
(3-({1-[2-(1H-Imidazol-2-ylcarbamoyl)-ethyl]-1H-ind...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCC(=O)Nc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C26H29N7O6S/c1-15-10-16(2)23(17(3)11-15)40(38,39)32-20(25(36)37)14-29-24(35)18-4-5-21-19(12-18)13-30-33(21)9-6-22(34)31-26-27-7-8-28-26/h4-5,7-8,10-13,20,32H,6,9,14H2,1-3H3,(H,29,35)(H,36,37)(H2,27,28,31,34)/t20-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083821
PNG
(3-({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-propy...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNC3=NCCN3)ncc2c1)C(O)=O |t:28|
Show InChI InChI=1S/C26H33N7O5S/c1-16-11-17(2)23(18(3)12-16)39(37,38)32-21(25(35)36)15-30-24(34)19-5-6-22-20(13-19)14-31-33(22)10-4-7-27-26-28-8-9-29-26/h5-6,11-14,21,32H,4,7-10,15H2,1-3H3,(H,30,34)(H,35,36)(H2,27,28,29)/t21-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083814
PNG
(3-({1-[3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylamino)-...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNC3=NCCCN3)ncc2c1)C(O)=O |t:28|
Show InChI InChI=1S/C27H35N7O5S/c1-17-12-18(2)24(19(3)13-17)40(38,39)33-22(26(36)37)16-31-25(35)20-6-7-23-21(14-20)15-32-34(23)11-5-10-30-27-28-8-4-9-29-27/h6-7,12-15,22,33H,4-5,8-11,16H2,1-3H3,(H,31,35)(H,36,37)(H2,28,29,30)/t22-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083821
PNG
(3-({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-propy...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNC3=NCCN3)ncc2c1)C(O)=O |t:28|
Show InChI InChI=1S/C26H33N7O5S/c1-16-11-17(2)23(18(3)12-16)39(37,38)32-21(25(35)36)15-30-24(34)19-5-6-22-20(13-19)14-31-33(22)10-4-7-27-26-28-8-9-29-26/h5-6,11-14,21,32H,4,7-10,15H2,1-3H3,(H,30,34)(H,35,36)(H2,27,28,29)/t21-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of adhesion of integrin beta3-transfected HEK293 cells to fibrinogen

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083797
PNG
(2-(3,5-Dimethyl-biphenyl-4-sulfonylamino)-3-({1-[3...)
Show SMILES Cc1cc(cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C31H33N7O5S/c1-20-15-24(22-7-4-3-5-8-22)16-21(2)28(20)44(42,43)37-26(30(40)41)19-35-29(39)23-9-10-27-25(17-23)18-36-38(27)14-6-11-32-31-33-12-13-34-31/h3-5,7-10,12-13,15-18,26,37H,6,11,14,19H2,1-2H3,(H,35,39)(H,40,41)(H2,32,33,34)/t26-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083832
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(1H-imidazol-2-y...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H27N7O5/c33-22(29-15-20(23(34)35)31-25(36)37-16-17-5-2-1-3-6-17)18-7-8-21-19(13-18)14-30-32(21)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,10-11,13-14,20H,4,9,12,15-16H2,(H,29,33)(H,31,36)(H,34,35)(H2,26,27,28)/t20-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083810
PNG
(2-(2,6-Dimethyl-benzenesulfonylamino)-3-({1-[3-(1H...)
Show SMILES Cc1cccc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C25H29N7O5S/c1-16-5-3-6-17(2)22(16)38(36,37)31-20(24(34)35)15-29-23(33)18-7-8-21-19(13-18)14-30-32(21)12-4-9-26-25-27-10-11-28-25/h3,5-8,10-11,13-14,20,31H,4,9,12,15H2,1-2H3,(H,29,33)(H,34,35)(H2,26,27,28)/t20-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083823
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H27N7O5S/c35-25(20-7-9-24-21(14-20)16-32-34(24)13-3-10-28-27-29-11-12-30-27)31-17-23(26(36)37)33-40(38,39)22-8-6-18-4-1-2-5-19(18)15-22/h1-2,4-9,11-12,14-16,23,33H,3,10,13,17H2,(H,31,35)(H,36,37)(H2,28,29,30)/t23-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083833
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C24H27N7O5S/c1-16-3-6-19(7-4-16)37(35,36)30-20(23(33)34)15-28-22(32)17-5-8-21-18(13-17)14-29-31(21)12-2-9-25-24-26-10-11-27-24/h3-8,10-11,13-14,20,30H,2,9,12,15H2,1H3,(H,28,32)(H,33,34)(H2,25,26,27)/t20-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083831
PNG
(2-(4-tert-Butyl-benzenesulfonylamino)-3-({1-[3-(1H...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C27H33N7O5S/c1-27(2,3)20-6-8-21(9-7-20)40(38,39)33-22(25(36)37)17-31-24(35)18-5-10-23-19(15-18)16-32-34(23)14-4-11-28-26-29-12-13-30-26/h5-10,12-13,15-16,22,33H,4,11,14,17H2,1-3H3,(H,31,35)(H,36,37)(H2,28,29,30)/t22-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083798
PNG
(2-Benzenesulfonylamino-3-({1-[3-(pyridin-2-ylamino...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H26N6O5S/c32-24(28-17-21(25(33)34)30-37(35,36)20-7-2-1-3-8-20)18-10-11-22-19(15-18)16-29-31(22)14-6-13-27-23-9-4-5-12-26-23/h1-5,7-12,15-16,21,30H,6,13-14,17H2,(H,26,27)(H,28,32)(H,33,34)/t21-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083805
PNG
(2-(Biphenyl-4-sulfonylamino)-3-({1-[3-(1H-imidazol...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H29N7O5S/c37-27(22-9-12-26-23(17-22)18-34-36(26)16-4-13-30-29-31-14-15-32-29)33-19-25(28(38)39)35-42(40,41)24-10-7-21(8-11-24)20-5-2-1-3-6-20/h1-3,5-12,14-15,17-18,25,35H,4,13,16,19H2,(H,33,37)(H,38,39)(H2,30,31,32)/t25-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083834
PNG
(2-(4-Acetylamino-benzenesulfonylamino)-3-({1-[3-(1...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C25H28N8O6S/c1-16(34)31-19-4-6-20(7-5-19)40(38,39)32-21(24(36)37)15-29-23(35)17-3-8-22-18(13-17)14-30-33(22)12-2-9-26-25-27-10-11-28-25/h3-8,10-11,13-14,21,32H,2,9,12,15H2,1H3,(H,29,35)(H,31,34)(H,36,37)(H2,26,27,28)/t21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083804
PNG
(3-[1-[3-(N-Pyridin-2ylamino)propyl]indazol-5-ylcar...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NS(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H27N7O5S/c33-24(28-17-21(25(34)35)31-38(36,37)30-20-7-2-1-3-8-20)18-10-11-22-19(15-18)16-29-32(22)14-6-13-27-23-9-4-5-12-26-23/h1-5,7-12,15-16,21,30-31H,6,13-14,17H2,(H,26,27)(H,28,33)(H,34,35)/t21-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083813
PNG
(3-({1-[3-(Pyridin-2-ylamino)-propyl]-1H-indazole-5...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C28H32N6O5S/c1-18-13-19(2)26(20(3)14-18)40(38,39)33-23(28(36)37)17-31-27(35)21-8-9-24-22(15-21)16-32-34(24)12-6-11-30-25-7-4-5-10-29-25/h4-5,7-10,13-16,23,33H,6,11-12,17H2,1-3H3,(H,29,30)(H,31,35)(H,36,37)/t23-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083815
PNG
(2-Isobutoxycarbonylamino-3-({1-[3-(pyridin-2-ylami...)
Show SMILES CC(C)COC(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C24H30N6O5/c1-16(2)15-35-24(34)29-19(23(32)33)14-27-22(31)17-7-8-20-18(12-17)13-28-30(20)11-5-10-26-21-6-3-4-9-25-21/h3-4,6-9,12-13,16,19H,5,10-11,14-15H2,1-2H3,(H,25,26)(H,27,31)(H,29,34)(H,32,33)/t19-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083795
PNG
(2-Benzyloxycarbonylamino-3-({1-[4-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCCNC3=NCCN3)ncc2c1)NC(=O)OCc1ccccc1 |t:18|
Show InChI InChI=1S/C26H31N7O5/c34-23(30-16-21(24(35)36)32-26(37)38-17-18-6-2-1-3-7-18)19-8-9-22-20(14-19)15-31-33(22)13-5-4-10-27-25-28-11-12-29-25/h1-3,6-9,14-15,21H,4-5,10-13,16-17H2,(H,30,34)(H,32,37)(H,35,36)(H2,27,28,29)/t21-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbition of Vitronectin receptor (alpha V beta 3) binding

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083837
PNG
(2-(4-Chloro-benzenesulfonylamino)-3-({1-[3-(1H-imi...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN7O5S/c24-17-3-5-18(6-4-17)37(35,36)30-19(22(33)34)14-28-21(32)15-2-7-20-16(12-15)13-29-31(20)11-1-8-25-23-26-9-10-27-23/h2-7,9-10,12-13,19,30H,1,8,11,14H2,(H,28,32)(H,33,34)(H2,25,26,27)/t19-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50408870
PNG
(CHEMBL2111217)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C26H31N7O5S/c1-16-11-17(2)23(18(3)12-16)39(37,38)32-21(25(35)36)15-30-24(34)19-5-6-22-20(13-19)14-31-33(22)10-4-7-27-26-28-8-9-29-26/h5-6,8-9,11-14,21,32H,4,7,10,15H2,1-3H3,(H,30,34)(H,35,36)(H2,27,28,29)/t21-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083798
PNG
(2-Benzenesulfonylamino-3-({1-[3-(pyridin-2-ylamino...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H26N6O5S/c32-24(28-17-21(25(33)34)30-37(35,36)20-7-2-1-3-8-20)18-10-11-22-19(15-18)16-29-31(22)14-6-13-27-23-9-4-5-12-26-23/h1-5,7-12,15-16,21,30H,6,13-14,17H2,(H,26,27)(H,28,32)(H,33,34)/t21-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083817
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(pyridin-2-ylami...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H28N6O5/c34-25(30-17-22(26(35)36)32-27(37)38-18-19-7-2-1-3-8-19)20-10-11-23-21(15-20)16-31-33(23)14-6-13-29-24-9-4-5-12-28-24/h1-5,7-12,15-16,22H,6,13-14,17-18H2,(H,28,29)(H,30,34)(H,32,37)(H,35,36)/t22-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083829
PNG
(3-[1-[3-(N-Pyridin-2ylamino)propyl]indazol-5-ylcar...)
Show SMILES Cc1cc(C)c(NS(=O)(=O)N[C@@H](CNC(=O)c2ccc3n(CCCNc4ccccn4)ncc3c2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H33N7O5S/c1-18-13-19(2)26(20(3)14-18)34-41(39,40)33-23(28(37)38)17-31-27(36)21-8-9-24-22(15-21)16-32-35(24)12-6-11-30-25-7-4-5-10-29-25/h4-5,7-10,13-16,23,33-34H,6,11-12,17H2,1-3H3,(H,29,30)(H,31,36)(H,37,38)/t23-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083800
PNG
(2-(Butane-1-sulfonylamino)-3-({1-[3-(pyridin-2-yla...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C23H30N6O5S/c1-2-3-13-35(33,34)28-19(23(31)32)16-26-22(30)17-8-9-20-18(14-17)15-27-29(20)12-6-11-25-21-7-4-5-10-24-21/h4-5,7-10,14-15,19,28H,2-3,6,11-13,16H2,1H3,(H,24,25)(H,26,30)(H,31,32)/t19-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083834
PNG
(2-(4-Acetylamino-benzenesulfonylamino)-3-({1-[3-(1...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C25H28N8O6S/c1-16(34)31-19-4-6-20(7-5-19)40(38,39)32-21(24(36)37)15-29-23(35)17-3-8-22-18(13-17)14-30-33(22)12-2-9-26-25-27-10-11-28-25/h3-8,10-11,13-14,21,32H,2,9,12,15H2,1H3,(H,29,35)(H,31,34)(H,36,37)(H2,26,27,28)/t21-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083809
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C24H27N7O6S/c1-37-18-4-6-19(7-5-18)38(35,36)30-20(23(33)34)15-28-22(32)16-3-8-21-17(13-16)14-29-31(21)12-2-9-25-24-26-10-11-27-24/h3-8,10-11,13-14,20,30H,2,9,12,15H2,1H3,(H,28,32)(H,33,34)(H2,25,26,27)/t20-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083839
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNC3=NCCN3)ncc2c1)NC(=O)OCc1ccccc1 |t:17|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-15-20(23(34)35)31-25(36)37-16-17-5-2-1-3-6-17)18-7-8-21-19(13-18)14-30-32(21)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13-14,20H,4,9-12,15-16H2,(H,29,33)(H,31,36)(H,34,35)(H2,26,27,28)/t20-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alphaV-beta3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083818
PNG
(3-[1-[3-(N-Pyridin-2ylamino)propyl]indazol-5-ylcar...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C26H29N7O5S/c34-25(29-18-22(26(35)36)32-39(37,38)31-16-19-7-2-1-3-8-19)20-10-11-23-21(15-20)17-30-33(23)14-6-13-28-24-9-4-5-12-27-24/h1-5,7-12,15,17,22,31-32H,6,13-14,16,18H2,(H,27,28)(H,29,34)(H,35,36)/t22-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083807
PNG
(2-(3,4-Dichloro-benzenesulfonylamino)-3-({1-[3-(1H...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H23Cl2N7O5S/c24-17-4-3-16(11-18(17)25)38(36,37)31-19(22(34)35)13-29-21(33)14-2-5-20-15(10-14)12-30-32(20)9-1-6-26-23-27-7-8-28-23/h2-5,7-8,10-12,19,31H,1,6,9,13H2,(H,29,33)(H,34,35)(H2,26,27,28)/t19-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083824
PNG
(CHEMBL152037 | N-{1-[3-(Pyridin-2-ylamino)-propyl]...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CC(=O)Nc1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C28H32N6O5S/c1-18-13-19(2)27(20(3)14-18)40(38,39)33-23(28(36)37)16-26(35)32-22-8-9-24-21(15-22)17-31-34(24)12-6-11-30-25-7-4-5-10-29-25/h4-5,7-10,13-15,17,23,33H,6,11-12,16H2,1-3H3,(H,29,30)(H,32,35)(H,36,37)/t23-/m0/s1
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n/an/a 840n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083793
PNG
(2-Benzyloxycarbonylamino-3-({2-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccc2cn(CCCNC3=NCCN3)nc2c1)NC(=O)OCc1ccccc1 |t:18|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-14-21(23(34)35)30-25(36)37-16-17-5-2-1-3-6-17)18-7-8-19-15-32(31-20(19)13-18)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13,15,21H,4,9-12,14,16H2,(H,29,33)(H,30,36)(H,34,35)(H2,26,27,28)/t21-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alphaV-beta3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083840
PNG
(CHEMBL347638 | N-Phenethyl-3-({1-[3-(pyridin-2-yla...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C28H30N6O4/c35-26(36)18-23(28(38)31-15-12-20-7-2-1-3-8-20)33-27(37)21-10-11-24-22(17-21)19-32-34(24)16-6-14-30-25-9-4-5-13-29-25/h1-5,7-11,13,17,19,23H,6,12,14-16,18H2,(H,29,30)(H,31,38)(H,33,37)(H,35,36)/t23-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083819
PNG
(2-(3-Phenyl-propionylamino)-3-({1-[3-(pyridin-2-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C28H30N6O4/c35-26(13-10-20-7-2-1-3-8-20)33-23(28(37)38)19-31-27(36)21-11-12-24-22(17-21)18-32-34(24)16-6-15-30-25-9-4-5-14-29-25/h1-5,7-9,11-12,14,17-18,23H,6,10,13,15-16,19H2,(H,29,30)(H,31,36)(H,33,35)(H,37,38)/t23-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083826
PNG
(3-({1-[3-(1H-Pyrazol-3-ylamino)-propyl]-1H-indazol...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccn[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C26H31N7O5S/c1-16-11-17(2)24(18(3)12-16)39(37,38)32-21(26(35)36)15-28-25(34)19-5-6-22-20(13-19)14-30-33(22)10-4-8-27-23-7-9-29-31-23/h5-7,9,11-14,21,32H,4,8,10,15H2,1-3H3,(H,28,34)(H,35,36)(H2,27,29,31)/t21-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083803
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccc2n(CCCNC3=NCCN3)ncc12)NC(=O)OCc1ccccc1 |t:18|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-15-20(23(34)35)31-25(36)37-16-17-6-2-1-3-7-17)18-8-4-9-21-19(18)14-30-32(21)13-5-10-26-24-27-11-12-28-24/h1-4,6-9,14,20H,5,10-13,15-16H2,(H,29,33)(H,31,36)(H,34,35)(H2,26,27,28)/t20-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alphaV-beta3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083796
PNG
(2-(3-Benzyl-ureido)-3-({1-[3-(pyridin-2-ylamino)-p...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C27H29N7O4/c35-25(30-18-22(26(36)37)33-27(38)31-16-19-7-2-1-3-8-19)20-10-11-23-21(15-20)17-32-34(23)14-6-13-29-24-9-4-5-12-28-24/h1-5,7-12,15,17,22H,6,13-14,16,18H2,(H,28,29)(H,30,35)(H,36,37)(H2,31,33,38)/t22-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083838
PNG
(2-(3-Phenyl-ureido)-3-({1-[3-(pyridin-2-ylamino)-p...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NC(=O)Nc1ccccc1
Show InChI InChI=1S/C26H27N7O4/c34-24(29-17-21(25(35)36)32-26(37)31-20-7-2-1-3-8-20)18-10-11-22-19(15-18)16-30-33(22)14-6-13-28-23-9-4-5-12-27-23/h1-5,7-12,15-16,21H,6,13-14,17H2,(H,27,28)(H,29,34)(H,35,36)(H2,31,32,37)/t21-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083808
PNG
(3-(Methyl-{1-[3-(pyridin-2-ylamino)-propyl]-1H-ind...)
Show SMILES CN(C[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O)C(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1
Show InChI InChI=1S/C29H34N6O5S/c1-19-14-20(2)27(21(3)15-19)41(39,40)33-24(29(37)38)18-34(4)28(36)22-9-10-25-23(16-22)17-32-35(25)13-7-12-31-26-8-5-6-11-30-26/h5-6,8-11,14-17,24,33H,7,12-13,18H2,1-4H3,(H,30,31)(H,37,38)/t24-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083795
PNG
(2-Benzyloxycarbonylamino-3-({1-[4-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCCNC3=NCCN3)ncc2c1)NC(=O)OCc1ccccc1 |t:18|
Show InChI InChI=1S/C26H31N7O5/c34-23(30-16-21(24(35)36)32-26(37)38-17-18-6-2-1-3-7-18)19-8-9-22-20(14-19)15-31-33(22)13-5-4-10-27-25-28-11-12-29-25/h1-3,6-9,14-15,21H,4-5,10-13,16-17H2,(H,30,34)(H,32,37)(H,35,36)(H2,27,28,29)/t21-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alphaV-beta3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083825
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccc2cnn(CCCNC3=NCCN3)c2c1)NC(=O)OCc1ccccc1 |t:19|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-15-20(23(34)35)31-25(36)37-16-17-5-2-1-3-6-17)18-7-8-19-14-30-32(21(19)13-18)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13-14,20H,4,9-12,15-16H2,(H,29,33)(H,31,36)(H,34,35)(H2,26,27,28)/t20-/m1/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alphaV-beta3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083827
PNG
(3-({1-[3-(Pyridin-2-ylamino)-propyl]-1H-indazole-5...)
Show SMILES OC(=O)CCNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1
Show InChI InChI=1S/C19H21N5O3/c25-18(26)7-10-22-19(27)14-5-6-16-15(12-14)13-23-24(16)11-3-9-21-17-4-1-2-8-20-17/h1-2,4-6,8,12-13H,3,7,9-11H2,(H,20,21)(H,22,27)(H,25,26)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083822
PNG
(2-Phenylmethanesulfonylamino-3-({1-[3-(pyridin-2-y...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H28N6O5S/c33-25(29-17-22(26(34)35)31-38(36,37)18-19-7-2-1-3-8-19)20-10-11-23-21(15-20)16-30-32(23)14-6-13-28-24-9-4-5-12-27-24/h1-5,7-12,15-16,22,31H,6,13-14,17-18H2,(H,27,28)(H,29,33)(H,34,35)/t22-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083835
PNG
(2-[({1-[3-(Pyridin-2-ylamino)-propyl]-1H-indazole-...)
Show SMILES Cc1cc(C)c(NC(=O)[C@H](CC(O)=O)NC(=O)c2ccc3n(CCCNc4ccccn4)ncc3c2)c(C)c1
Show InChI InChI=1S/C29H32N6O4/c1-18-13-19(2)27(20(3)14-18)34-29(39)23(16-26(36)37)33-28(38)21-8-9-24-22(15-21)17-32-35(24)12-6-11-31-25-7-4-5-10-30-25/h4-5,7-10,13-15,17,23H,6,11-12,16H2,1-3H3,(H,30,31)(H,33,38)(H,34,39)(H,36,37)/t23-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083820
PNG
(1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazole-5...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NCCNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1
Show InChI InChI=1S/C25H31N7O3S/c1-17-13-18(2)23(19(3)14-17)36(34,35)31-11-10-26-24(33)20-5-6-22-21(15-20)16-30-32(22)12-4-7-27-25-28-8-9-29-25/h5-6,8-9,13-16,31H,4,7,10-12H2,1-3H3,(H,26,33)(H2,27,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083806
PNG
(2-(4-Methyl-pentanoylamino)-3-({1-[3-(pyridin-2-yl...)
Show SMILES CC(C)CCC(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C25H32N6O4/c1-17(2)7-10-23(32)30-20(25(34)35)16-28-24(33)18-8-9-21-19(14-18)15-29-31(21)13-5-12-27-22-6-3-4-11-26-22/h3-4,6,8-9,11,14-15,17,20H,5,7,10,12-13,16H2,1-2H3,(H,26,27)(H,28,33)(H,30,32)(H,34,35)/t20-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083828
PNG
(2-Benzyloxycarbonylamino-3-({2-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2nn(CCCNC3=NCCN3)cc2c1)NC(=O)OCc1ccccc1 |t:18|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-14-21(23(34)35)30-25(36)37-16-17-5-2-1-3-6-17)18-7-8-20-19(13-18)15-32(31-20)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13,15,21H,4,9-12,14,16H2,(H,29,33)(H,30,36)(H,34,35)(H2,26,27,28)/t21-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alphaV-beta3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083801
PNG
(2-Benzyloxycarbonylamino-3-({1-[2-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCNC3=NCCN3)ncc2c1)NC(=O)OCc1ccccc1 |t:16|
Show InChI InChI=1S/C24H27N7O5/c32-21(28-14-19(22(33)34)30-24(35)36-15-16-4-2-1-3-5-16)17-6-7-20-18(12-17)13-29-31(20)11-10-27-23-25-8-9-26-23/h1-7,12-13,19H,8-11,14-15H2,(H,28,32)(H,30,35)(H,33,34)(H2,25,26,27)/t19-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alphaV-beta3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083832
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(1H-imidazol-2-y...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H27N7O5/c33-22(29-15-20(23(34)35)31-25(36)37-16-17-5-2-1-3-6-17)18-7-8-21-19(13-18)14-30-32(21)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,10-11,13-14,20H,4,9,12,15-16H2,(H,29,33)(H,31,36)(H,34,35)(H2,26,27,28)/t20-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083841
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES OC(=O)CCNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1
Show InChI InChI=1S/C17H20N6O3/c24-15(25)4-6-18-16(26)12-2-3-14-13(10-12)11-22-23(14)9-1-5-19-17-20-7-8-21-17/h2-3,7-8,10-11H,1,4-6,9H2,(H,18,26)(H,24,25)(H2,19,20,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083830
PNG
(3-[1-[3-(N-Pyridin-2ylamino)propyl]indazol-5-ylcar...)
Show SMILES CC(C)CNS(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C23H31N7O5S/c1-16(2)13-28-36(34,35)29-19(23(32)33)15-26-22(31)17-7-8-20-18(12-17)14-27-30(20)11-5-10-25-21-6-3-4-9-24-21/h3-4,6-9,12,14,16,19,28-29H,5,10-11,13,15H2,1-2H3,(H,24,25)(H,26,31)(H,32,33)/t19-/m0/s1
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083825
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(4,5-dihydro-1H-...)
Show SMILES OC(=O)[C@@H](CNC(=O)c1ccc2cnn(CCCNC3=NCCN3)c2c1)NC(=O)OCc1ccccc1 |t:19|
Show InChI InChI=1S/C25H29N7O5/c33-22(29-15-20(23(34)35)31-25(36)37-16-17-5-2-1-3-6-17)18-7-8-19-14-30-32(21(19)13-18)12-4-9-26-24-27-10-11-28-24/h1-3,5-8,13-14,20H,4,9-12,15-16H2,(H,29,33)(H,31,36)(H,34,35)(H2,26,27,28)/t20-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbition of Vitronectin receptor (alpha V beta 3) binding

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083831
PNG
(2-(4-tert-Butyl-benzenesulfonylamino)-3-({1-[3-(1H...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C27H33N7O5S/c1-27(2,3)20-6-8-21(9-7-20)40(38,39)33-22(25(36)37)17-31-24(35)18-5-10-23-19(15-18)16-32-34(23)14-4-11-28-26-29-12-13-30-26/h5-10,12-13,15-16,22,33H,4,11,14,17H2,1-3H3,(H,31,35)(H,36,37)(H2,28,29,30)/t22-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083794
PNG
(3-({1-[2-(1H-Imidazol-2-ylcarbamoyl)-ethyl]-1H-ind...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCC(=O)Nc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C26H29N7O6S/c1-15-10-16(2)23(17(3)11-15)40(38,39)32-20(25(36)37)14-29-24(35)18-4-5-21-19(12-18)13-30-33(21)9-6-22(34)31-26-27-7-8-28-26/h4-5,7-8,10-13,20,32H,6,9,14H2,1-3H3,(H,29,35)(H,36,37)(H2,27,28,31,34)/t20-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083816
PNG
(3-({1-[3-(1H-Imidazol-2-ylamino)-propyl]-1H-indazo...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N7O5S/c25-24(26,27)17-3-5-18(6-4-17)40(38,39)33-19(22(36)37)14-31-21(35)15-2-7-20-16(12-15)13-32-34(20)11-1-8-28-23-29-9-10-30-23/h2-7,9-10,12-13,19,33H,1,8,11,14H2,(H,31,35)(H,36,37)(H2,28,29,30)/t19-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50408870
PNG
(CHEMBL2111217)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@H](CNC(=O)c1ccc2n(CCCNc3ncc[nH]3)ncc2c1)C(O)=O
Show InChI InChI=1S/C26H31N7O5S/c1-16-11-17(2)23(18(3)12-16)39(37,38)32-21(25(35)36)15-30-24(34)19-5-6-22-20(13-19)14-31-33(22)10-4-7-27-26-28-8-9-29-26/h5-6,8-9,11-14,21,32H,4,7,10,15H2,1-3H3,(H,30,34)(H,35,36)(H2,27,28,29)/t21-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083804
PNG
(3-[1-[3-(N-Pyridin-2ylamino)propyl]indazol-5-ylcar...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NS(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H27N7O5S/c33-24(28-17-21(25(34)35)31-38(36,37)30-20-7-2-1-3-8-20)18-10-11-22-19(15-18)16-29-32(22)14-6-13-27-23-9-4-5-12-26-23/h1-5,7-12,15-16,21,30-31H,6,13-14,17H2,(H,26,27)(H,28,33)(H,34,35)/t21-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083818
PNG
(3-[1-[3-(N-Pyridin-2ylamino)propyl]indazol-5-ylcar...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C26H29N7O5S/c34-25(29-18-22(26(35)36)32-39(37,38)31-16-19-7-2-1-3-8-19)20-10-11-23-21(15-20)17-30-33(23)14-6-13-28-24-9-4-5-12-27-24/h1-5,7-12,15,17,22,31-32H,6,13-14,16,18H2,(H,27,28)(H,29,34)(H,35,36)/t22-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083800
PNG
(2-(Butane-1-sulfonylamino)-3-({1-[3-(pyridin-2-yla...)
Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C23H30N6O5S/c1-2-3-13-35(33,34)28-19(23(31)32)16-26-22(30)17-8-9-20-18(14-17)15-27-29(20)12-6-11-25-21-7-4-5-10-24-21/h4-5,7-10,14-15,19,28H,2-3,6,11-13,16H2,1H3,(H,24,25)(H,26,30)(H,31,32)/t19-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083817
PNG
(2-Benzyloxycarbonylamino-3-({1-[3-(pyridin-2-ylami...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H28N6O5/c34-25(30-17-22(26(35)36)32-27(37)38-18-19-7-2-1-3-8-19)20-10-11-23-21(15-20)16-31-33(23)14-6-13-29-24-9-4-5-12-28-24/h1-5,7-12,15-16,22H,6,13-14,17-18H2,(H,28,29)(H,30,34)(H,32,37)(H,35,36)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083815
PNG
(2-Isobutoxycarbonylamino-3-({1-[3-(pyridin-2-ylami...)
Show SMILES CC(C)COC(=O)N[C@@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C24H30N6O5/c1-16(2)15-35-24(34)29-19(23(32)33)14-27-22(31)17-7-8-20-18(12-17)13-28-30(20)11-5-10-26-21-6-3-4-9-25-21/h3-4,6-9,12-13,16,19H,5,10-11,14-15H2,1-2H3,(H,25,26)(H,27,31)(H,29,34)(H,32,33)/t19-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083829
PNG
(3-[1-[3-(N-Pyridin-2ylamino)propyl]indazol-5-ylcar...)
Show SMILES Cc1cc(C)c(NS(=O)(=O)N[C@@H](CNC(=O)c2ccc3n(CCCNc4ccccn4)ncc3c2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H33N7O5S/c1-18-13-19(2)26(20(3)14-18)34-41(39,40)33-23(28(37)38)17-31-27(36)21-8-9-24-22(15-21)16-32-35(24)12-6-11-30-25-7-4-5-10-29-25/h4-5,7-10,13-16,23,33-34H,6,11-12,17H2,1-3H3,(H,29,30)(H,31,36)(H,37,38)/t23-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083824
PNG
(CHEMBL152037 | N-{1-[3-(Pyridin-2-ylamino)-propyl]...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CC(=O)Nc1ccc2n(CCCNc3ccccn3)ncc2c1)C(O)=O
Show InChI InChI=1S/C28H32N6O5S/c1-18-13-19(2)27(20(3)14-18)40(38,39)33-23(28(36)37)16-26(35)32-22-8-9-24-21(15-22)17-31-34(24)12-6-11-30-25-7-4-5-10-29-25/h4-5,7-10,13-15,17,23,33H,6,11-12,16H2,1-3H3,(H,29,30)(H,32,35)(H,36,37)/t23-/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50083785
PNG
(3-({5-[3-(1H-Imidazol-2-ylcarbamoyl)-propyl]-4,5-d...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCC(=O)Nc2ncc[nH]2)C1)C(O)=O |t:19|
Show InChI InChI=1S/C23H30N6O7S/c1-13-9-14(2)20(15(3)10-13)37(34,35)29-18(22(32)33)12-26-21(31)17-11-16(36-28-17)5-4-6-19(30)27-23-24-7-8-25-23/h7-10,16,18,29H,4-6,11-12H2,1-3H3,(H,26,31)(H,32,33)(H2,24,25,27,30)/t16?,18-/m0/s1
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n/an/a 6.10E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%