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Compile Data Set for Download or QSAR

Found 194 hits Enz. Inhib. hit(s) with all data for entry = 50036003   
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-IIb/beta-3


(Homo sapiens (Human))
BDBM50006294
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccccc1
Show InChI InChI=1S/C25H34N8O9S/c26-25(27)28-8-4-7-14-21(38)29-10-18(35)32-15(9-19(36)37)22(39)33-16(24(41)42)12-43-20(13-5-2-1-3-6-13)23(40)30-11-17(34)31-14/h1-3,5-6,14-16,20H,4,7-12H2,(H,29,38)(H,30,40)(H,31,34)(H,32,35)(H,33,39)(H,36,37)(H,41,42)(H4,26,27,28)/t14-,15-,16-,20?/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006340
PNG
(11-Carboxymethyl-17-(3-guanidino-propyl)-4,10,13,1...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C22H34N8O9S/c23-22(24)25-5-1-3-11-18(35)26-8-15(31)27-12(7-17(33)34)19(36)29-13(21(38)39)9-40-10-16(32)30-6-2-4-14(30)20(37)28-11/h11-14H,1-10H2,(H,26,35)(H,27,31)(H,28,37)(H,29,36)(H,33,34)(H,38,39)(H4,23,24,25)/t11-,12-,13-,14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50368321
PNG
(CHEMBL1790447)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(O)=O
Show InChI InChI=1S/C21H34N8O10S/c1-9(30)16-19(37)27-10(3-2-4-24-21(22)23)17(35)25-6-13(31)26-11(5-15(33)34)18(36)28-12(20(38)39)7-40-8-14(32)29-16/h9-12,16,30H,2-8H2,1H3,(H,25,35)(H,26,31)(H,27,37)(H,28,36)(H,29,32)(H,33,34)(H,38,39)(H4,22,23,24)/t9-,10+,11+,12+,16+/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006328
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-18-naphtha...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C29H36N8O9S/c30-29(31)32-10-4-9-18-25(42)33-12-22(39)36-19(11-23(40)41)26(43)37-20(28(45)46)14-47-24(27(44)34-13-21(38)35-18)17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8,18-20,24H,4,9-14H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t18-,19-,20-,24?/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006315
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-1,5,8,11,1...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C19H30N8O10S/c20-19(21)22-3-1-2-9-16(33)24-6-13(29)26-10(4-15(31)32)17(34)27-11(18(35)36)7-38(37)8-14(30)23-5-12(28)25-9/h9-11H,1-8H2,(H,23,30)(H,24,33)(H,25,28)(H,26,29)(H,27,34)(H,31,32)(H,35,36)(H4,20,21,22)/t9-,10-,11-,38?/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006351
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(4-hydr...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H36N8O10S/c27-26(28)29-7-1-2-15-22(40)30-10-19(36)31-17(9-21(38)39)24(42)34-18(25(43)44)11-45-12-20(37)32-16(23(41)33-15)8-13-3-5-14(35)6-4-13/h3-6,15-18,35H,1-2,7-12H2,(H,30,40)(H,31,36)(H,32,37)(H,33,41)(H,34,42)(H,38,39)(H,43,44)(H4,27,28,29)/t15-,16-,17-,18-/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006324
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(4-hydr...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H36N8O11S/c27-26(28)29-7-1-2-15-22(40)30-10-19(36)31-17(9-21(38)39)24(42)34-18(25(43)44)11-46(45)12-20(37)32-16(23(41)33-15)8-13-3-5-14(35)6-4-13/h3-6,15-18,35H,1-2,7-12H2,(H,30,40)(H,31,36)(H,32,37)(H,33,41)(H,34,42)(H,38,39)(H,43,44)(H4,27,28,29)/t15-,16-,17-,18-,46?/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006302
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-...)
Show SMILES C[C@@H]1NC(=O)CS(=O)C[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/C20H32N8O10S/c1-9-16(33)27-10(3-2-4-23-20(21)22)17(34)24-6-13(29)26-11(5-15(31)32)18(35)28-12(19(36)37)7-39(38)8-14(30)25-9/h9-12H,2-8H2,1H3,(H,24,34)(H,25,30)(H,26,29)(H,27,33)(H,28,35)(H,31,32)(H,36,37)(H4,21,22,23)/t9-,10-,11-,12-,39?/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50368318
PNG
(CHEMBL1790445)
Show SMILES C[C@@H](O)[C@@H]1Nc2cccc(CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(O)=O)c2
Show InChI InChI=1S/C27H40N8O9S/c1-14(36)22-25(42)34-17(6-3-8-30-27(28)29)23(40)31-12-20(37)33-18(11-21(38)39)24(41)35-19(26(43)44)13-45-9-7-15-4-2-5-16(10-15)32-22/h2,4-5,10,14,17-19,22,32,36H,3,6-9,11-13H2,1H3,(H,31,40)(H,33,37)(H,34,42)(H,35,41)(H,38,39)(H,43,44)(H4,28,29,30)/t14-,17+,18+,19+,22+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50368320
PNG
(CHEMBL1790443)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(O)=O
Show InChI InChI=1S/C21H34N8O11S/c1-9(30)16-19(37)27-10(3-2-4-24-21(22)23)17(35)25-6-13(31)26-11(5-15(33)34)18(36)28-12(20(38)39)7-41(40)8-14(32)29-16/h9-12,16,30H,2-8H2,1H3,(H,25,35)(H,26,31)(H,27,37)(H,28,36)(H,29,32)(H,33,34)(H,38,39)(H4,22,23,24)/t9-,10+,11+,12+,16+,41?/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006314
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-isoprop...)
Show SMILES CC(C)[C@@H]1NC(=O)CSC[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/C22H36N8O9S/c1-10(2)17-20(37)28-11(4-3-5-25-22(23)24)18(35)26-7-14(31)27-12(6-16(33)34)19(36)29-13(21(38)39)8-40-9-15(32)30-17/h10-13,17H,3-9H2,1-2H3,(H,26,35)(H,27,31)(H,28,37)(H,29,36)(H,30,32)(H,33,34)(H,38,39)(H4,23,24,25)/t11-,12-,13-,17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006300
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(4-hydr...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CS(=O)(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H36N8O12S/c27-26(28)29-7-1-2-15-22(40)30-10-19(36)31-17(9-21(38)39)24(42)34-18(25(43)44)11-47(45,46)12-20(37)32-16(23(41)33-15)8-13-3-5-14(35)6-4-13/h3-6,15-18,35H,1-2,7-12H2,(H,30,40)(H,31,36)(H,32,37)(H,33,41)(H,34,42)(H,38,39)(H,43,44)(H4,27,28,29)/t15-,16-,17-,18-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006349
PNG
(CHEMBL64787 | [3-Carbamoyl-12-(3-guanidino-propyl)...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C26H37N9O9S/c27-22(41)18-11-45-12-20(38)33-16(8-13-3-5-14(36)6-4-13)24(43)34-15(2-1-7-30-26(28)29)23(42)31-10-19(37)32-17(9-21(39)40)25(44)35-18/h3-6,15-18,36H,1-2,7-12H2,(H2,27,41)(H,31,42)(H,32,37)(H,33,38)(H,34,43)(H,35,44)(H,39,40)(H4,28,29,30)/t15-,16-,17-,18-/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006287
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-...)
Show SMILES C[C@@H]1NC(=O)CSC[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/C20H32N8O9S/c1-9-16(33)27-10(3-2-4-23-20(21)22)17(34)24-6-13(29)26-11(5-15(31)32)18(35)28-12(19(36)37)7-38-8-14(30)25-9/h9-12H,2-8H2,1H3,(H,24,34)(H,25,30)(H,26,29)(H,27,33)(H,28,35)(H,31,32)(H,36,37)(H4,21,22,23)/t9-,10-,11-,12-/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006296
PNG
(15-(4-Amino-butyl)-6-carboxymethyl-12-(3-guanidino...)
Show SMILES NCCCC[C@@H]1NC(=O)CS(=O)C[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/C23H39N9O10S/c24-6-2-1-4-13-20(38)31-12(5-3-7-27-23(25)26)19(37)28-9-16(33)30-14(8-18(35)36)21(39)32-15(22(40)41)10-43(42)11-17(34)29-13/h12-15H,1-11,24H2,(H,28,37)(H,29,34)(H,30,33)(H,31,38)(H,32,39)(H,35,36)(H,40,41)(H4,25,26,27)/t12-,13-,14-,15-,43?/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006297
PNG
(15-Carbamoylmethyl-6-carboxymethyl-12-(3-guanidino...)
Show SMILES NC(=O)C[C@@H]1NC(=O)CSC[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/C21H33N9O10S/c22-13(31)4-10-18(37)29-9(2-1-3-25-21(23)24)17(36)26-6-14(32)27-11(5-16(34)35)19(38)30-12(20(39)40)7-41-8-15(33)28-10/h9-12H,1-8H2,(H2,22,31)(H,26,36)(H,27,32)(H,28,33)(H,29,37)(H,30,38)(H,34,35)(H,39,40)(H4,23,24,25)/t9-,10-,11-,12-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006289
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H33F3N8O9S/c27-26(28,29)13-5-2-1-4-12(13)20-23(44)34-10-17(38)35-14(6-3-7-32-25(30)31)21(42)33-9-18(39)36-15(8-19(40)41)22(43)37-16(11-47-20)24(45)46/h1-2,4-5,14-16,20H,3,6-11H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t14-,15-,16-,20?/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006274
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-18-naphtha...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H36N8O9S/c30-29(31)32-9-3-6-18-25(42)33-12-22(39)36-19(11-23(40)41)26(43)37-20(28(45)46)14-47-24(27(44)34-13-21(38)35-18)17-8-7-15-4-1-2-5-16(15)10-17/h1-2,4-5,7-8,10,18-20,24H,3,6,9,11-14H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t18-,19-,20-,24?/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006327
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-isoprop...)
Show SMILES CC(C)[C@@H]1NC(=O)CS(=O)C[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/C22H36N8O10S/c1-10(2)17-20(37)28-11(4-3-5-25-22(23)24)18(35)26-7-14(31)27-12(6-16(33)34)19(36)29-13(21(38)39)8-41(40)9-15(32)30-17/h10-13,17H,3-9H2,1-2H3,(H,26,35)(H,27,31)(H,28,37)(H,29,36)(H,30,32)(H,33,34)(H,38,39)(H4,23,24,25)/t11-,12-,13-,17-,41?/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006283
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-imi...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C23H34N10O9S/c24-23(25)27-3-1-2-12-19(38)28-7-16(34)30-14(5-18(36)37)21(40)33-15(22(41)42)8-43-9-17(35)31-13(20(39)32-12)4-11-6-26-10-29-11/h6,10,12-15H,1-5,7-9H2,(H,26,29)(H,28,38)(H,30,34)(H,31,35)(H,32,39)(H,33,40)(H,36,37)(H,41,42)(H4,24,25,27)/t12-,13-,14-,15-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006344
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-isobuty...)
Show SMILES CC(C)C[C@@H]1NC(=O)CSC[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/C23H38N8O9S/c1-11(2)6-13-20(37)30-12(4-3-5-26-23(24)25)19(36)27-8-16(32)28-14(7-18(34)35)21(38)31-15(22(39)40)9-41-10-17(33)29-13/h11-15H,3-10H2,1-2H3,(H,27,36)(H,28,32)(H,29,33)(H,30,37)(H,31,38)(H,34,35)(H,39,40)(H4,24,25,26)/t12-,13-,14-,15-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006334
PNG
(18-Biphenyl-4-yl-6-carboxymethyl-12-(3-guanidino-p...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H38N8O9S/c32-31(33)34-12-4-7-20-27(44)35-14-24(41)38-21(13-25(42)43)28(45)39-22(30(47)48)16-49-26(29(46)36-15-23(40)37-20)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-22,26H,4,7,12-16H2,(H,35,44)(H,36,46)(H,37,40)(H,38,41)(H,39,45)(H,42,43)(H,47,48)(H4,32,33,34)/t20-,21-,22-,26?/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006270
PNG
(6-Carboxymethyl-15-(2,2-dimethyl-propyl)-12-(3-gua...)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)CSC[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/C24H40N8O9S/c1-24(2,3)8-14-21(39)31-12(5-4-6-27-23(25)26)19(37)28-9-16(33)29-13(7-18(35)36)20(38)32-15(22(40)41)10-42-11-17(34)30-14/h12-15H,4-11H2,1-3H3,(H,28,37)(H,29,33)(H,30,34)(H,31,39)(H,32,38)(H,35,36)(H,40,41)(H4,25,26,27)/t12-,13-,14-,15-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006346
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-isobuty...)
Show SMILES CC(C)C[C@@H]1NC(=O)CS(=O)C[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/C23H38N8O10S/c1-11(2)6-13-20(37)30-12(4-3-5-26-23(24)25)19(36)27-8-16(32)28-14(7-18(34)35)21(38)31-15(22(39)40)9-42(41)10-17(33)29-13/h11-15H,3-10H2,1-2H3,(H,27,36)(H,28,32)(H,29,33)(H,30,37)(H,31,38)(H,34,35)(H,39,40)(H4,24,25,26)/t12-,13-,14-,15-,42?/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006298
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(2-meth...)
Show SMILES CSCC[C@@H]1NC(=O)CSC[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/C22H36N8O9S2/c1-40-6-4-12-19(36)29-11(3-2-5-25-22(23)24)18(35)26-8-15(31)28-13(7-17(33)34)20(37)30-14(21(38)39)9-41-10-16(32)27-12/h11-14H,2-10H2,1H3,(H,26,35)(H,27,32)(H,28,31)(H,29,36)(H,30,37)(H,33,34)(H,38,39)(H4,23,24,25)/t11-,12-,13-,14-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006303
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H33F3N8O9S/c27-26(28,29)13-5-3-12(4-6-13)20-23(44)34-10-17(38)35-14(2-1-7-32-25(30)31)21(42)33-9-18(39)36-15(8-19(40)41)22(43)37-16(11-47-20)24(45)46/h3-6,14-16,20H,1-2,7-11H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t14-,15-,16-,20?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006345
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-hydroxy...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C20H32N8O10S/c21-20(22)23-3-1-2-9-16(34)24-5-13(30)25-10(4-15(32)33)17(35)28-12(19(37)38)7-39-8-14(31)26-11(6-29)18(36)27-9/h9-12,29H,1-8H2,(H,24,34)(H,25,30)(H,26,31)(H,27,36)(H,28,35)(H,32,33)(H,37,38)(H4,21,22,23)/t9-,10-,11-,12-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006275
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-ind...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C28H37N9O9S/c29-28(30)31-7-3-6-17-24(42)33-11-21(38)34-19(9-23(40)41)26(44)37-20(27(45)46)12-47-13-22(39)35-18(25(43)36-17)8-14-10-32-16-5-2-1-4-15(14)16/h1-2,4-5,10,17-20,32H,3,6-9,11-13H2,(H,33,42)(H,34,38)(H,35,39)(H,36,43)(H,37,44)(H,40,41)(H,45,46)(H4,29,30,31)/t17-,18-,19-,20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006348
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C19H30N8O9S/c20-19(21)22-3-1-2-9-16(33)24-6-13(29)26-10(4-15(31)32)17(34)27-11(18(35)36)7-37-8-14(30)23-5-12(28)25-9/h9-11H,1-8H2,(H,23,30)(H,24,33)(H,25,28)(H,26,29)(H,27,34)(H,31,32)(H,35,36)(H4,20,21,22)/t9-,10-,11-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006327
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-isoprop...)
Show SMILES CC(C)[C@@H]1NC(=O)CS(=O)C[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/C22H36N8O10S/c1-10(2)17-20(37)28-11(4-3-5-25-22(23)24)18(35)26-7-14(31)27-12(6-16(33)34)19(36)29-13(21(38)39)8-41(40)9-15(32)30-17/h10-13,17H,3-9H2,1-2H3,(H,26,35)(H,27,31)(H,28,37)(H,29,36)(H,30,32)(H,33,34)(H,38,39)(H4,23,24,25)/t11-,12-,13-,17-,41?/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Fibrinogen binding to Fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006323
PNG
(CHEMBL302646 | [3-Carbamoyl-12-(3-guanidino-propyl...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C26H37N9O10S/c27-22(41)18-11-46(45)12-20(38)33-16(8-13-3-5-14(36)6-4-13)24(43)34-15(2-1-7-30-26(28)29)23(42)31-10-19(37)32-17(9-21(39)40)25(44)35-18/h3-6,15-18,36H,1-2,7-12H2,(H2,27,41)(H,31,42)(H,32,37)(H,33,38)(H,34,43)(H,35,44)(H,39,40)(H4,28,29,30)/t15-,16-,17-,18-,46?/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006302
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-methyl-...)
Show SMILES C[C@@H]1NC(=O)CS(=O)C[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/C20H32N8O10S/c1-9-16(33)27-10(3-2-4-23-20(21)22)17(34)24-6-13(29)26-11(5-15(31)32)18(35)28-12(19(36)37)7-39(38)8-14(30)25-9/h9-12H,2-8H2,1H3,(H,24,34)(H,25,30)(H,26,29)(H,27,33)(H,28,35)(H,31,32)(H,36,37)(H4,21,22,23)/t9-,10-,11-,12-,39?/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006271
PNG
(15-(2-Carboxy-ethyl)-6-carboxymethyl-12-(3-guanidi...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C22H34N8O12S/c23-22(24)25-5-1-2-10-18(37)26-7-14(31)28-12(6-17(35)36)20(39)30-13(21(40)41)8-43(42)9-15(32)27-11(19(38)29-10)3-4-16(33)34/h10-13H,1-9H2,(H,26,37)(H,27,32)(H,28,31)(H,29,38)(H,30,39)(H,33,34)(H,35,36)(H,40,41)(H4,23,24,25)/t10-,11-,12-,13-,43?/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006324
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(4-hydr...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H36N8O11S/c27-26(28)29-7-1-2-15-22(40)30-10-19(36)31-17(9-21(38)39)24(42)34-18(25(43)44)11-46(45)12-20(37)32-16(23(41)33-15)8-13-3-5-14(35)6-4-13/h3-6,15-18,35H,1-2,7-12H2,(H,30,40)(H,31,36)(H,32,37)(H,33,41)(H,34,42)(H,38,39)(H,43,44)(H4,27,28,29)/t15-,16-,17-,18-,46?/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006334
PNG
(18-Biphenyl-4-yl-6-carboxymethyl-12-(3-guanidino-p...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H38N8O9S/c32-31(33)34-12-4-7-20-27(44)35-14-24(41)38-21(13-25(42)43)28(45)39-22(30(47)48)16-49-26(29(46)36-15-23(40)37-20)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-11,20-22,26H,4,7,12-16H2,(H,35,44)(H,36,46)(H,37,40)(H,38,41)(H,39,45)(H,42,43)(H,47,48)(H4,32,33,34)/t20-,21-,22-,26?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006318
PNG
(15-Carbamoylmethyl-6-carboxymethyl-12-(3-guanidino...)
Show SMILES NC(=O)C[C@@H]1NC(=O)CS(=O)C[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/C21H33N9O11S/c22-13(31)4-10-18(37)29-9(2-1-3-25-21(23)24)17(36)26-6-14(32)27-11(5-16(34)35)19(38)30-12(20(39)40)7-42(41)8-15(33)28-10/h9-12H,1-8H2,(H2,22,31)(H,26,36)(H,27,32)(H,28,33)(H,29,37)(H,30,38)(H,34,35)(H,39,40)(H4,23,24,25)/t9-,10-,11-,12-,42?/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006328
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-18-naphtha...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C29H36N8O9S/c30-29(31)32-10-4-9-18-25(42)33-12-22(39)36-19(11-23(40)41)26(43)37-20(28(45)46)14-47-24(27(44)34-13-21(38)35-18)17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8,18-20,24H,4,9-14H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t18-,19-,20-,24?/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006337
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...)
Show SMILES CCCC1SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C22H36N8O9S/c1-2-4-14-20(37)27-9-15(31)28-11(5-3-6-25-22(23)24)18(35)26-8-16(32)29-12(7-17(33)34)19(36)30-13(10-40-14)21(38)39/h11-14H,2-10H2,1H3,(H,26,35)(H,27,37)(H,28,31)(H,29,32)(H,30,36)(H,33,34)(H,38,39)(H4,23,24,25)/t11-,12-,13-,14?/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006305
PNG
(15-Benzyl-6-carboxymethyl-12-(3-guanidino-propyl)-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H36N8O10S/c27-26(28)29-8-4-7-15-22(39)30-11-19(35)31-17(10-21(37)38)24(41)34-18(25(42)43)12-45(44)13-20(36)32-16(23(40)33-15)9-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,30,39)(H,31,35)(H,32,36)(H,33,40)(H,34,41)(H,37,38)(H,42,43)(H4,27,28,29)/t15-,16+,17-,18-,45?/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006280
PNG
(15-(3-Amino-propyl)-6-carboxymethyl-12-(3-guanidin...)
Show SMILES NCCC[C@@H]1NC(=O)CSC[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/C22H37N9O9S/c23-5-1-3-12-19(37)30-11(4-2-6-26-22(24)25)18(36)27-8-15(32)29-13(7-17(34)35)20(38)31-14(21(39)40)9-41-10-16(33)28-12/h11-14H,1-10,23H2,(H,27,36)(H,28,33)(H,29,32)(H,30,37)(H,31,38)(H,34,35)(H,39,40)(H4,24,25,26)/t11-,12-,13-,14-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006278
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-5,8,11,14,...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)CNC(=O)C(SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H33F3N8O9S/c27-26(28,29)13-4-1-3-12(7-13)20-23(44)34-10-17(38)35-14(5-2-6-32-25(30)31)21(42)33-9-18(39)36-15(8-19(40)41)22(43)37-16(11-47-20)24(45)46/h1,3-4,7,14-16,20H,2,5-6,8-11H2,(H,33,42)(H,34,44)(H,35,38)(H,36,39)(H,37,43)(H,40,41)(H,45,46)(H4,30,31,32)/t14-,15-,16-,20?/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006318
PNG
(15-Carbamoylmethyl-6-carboxymethyl-12-(3-guanidino...)
Show SMILES NC(=O)C[C@@H]1NC(=O)CS(=O)C[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/C21H33N9O11S/c22-13(31)4-10-18(37)29-9(2-1-3-25-21(23)24)17(36)26-6-14(32)27-11(5-16(34)35)19(38)30-12(20(39)40)7-42(41)8-15(33)28-10/h9-12H,1-8H2,(H2,22,31)(H,26,36)(H,27,32)(H,28,33)(H,29,37)(H,30,38)(H,34,35)(H,39,40)(H4,23,24,25)/t9-,10-,11-,12-,42?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006306
PNG
(6-Carboxymethyl-18-ethyl-12-(3-guanidino-propyl)-5...)
Show SMILES CCC1SC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C21H34N8O9S/c1-2-13-19(36)26-8-14(30)27-10(4-3-5-24-21(22)23)17(34)25-7-15(31)28-11(6-16(32)33)18(35)29-12(9-39-13)20(37)38/h10-13H,2-9H2,1H3,(H,25,34)(H,26,36)(H,27,30)(H,28,31)(H,29,35)(H,32,33)(H,37,38)(H4,22,23,24)/t10-,11-,12-,13?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006267
PNG
(6,15-Bis-carboxymethyl-12-(3-guanidino-propyl)-1,5...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C21H32N8O12S/c22-21(23)24-3-1-2-9-17(36)25-6-13(30)26-10(4-15(32)33)19(38)29-12(20(39)40)7-42(41)8-14(31)27-11(5-16(34)35)18(37)28-9/h9-12H,1-8H2,(H,25,36)(H,26,30)(H,27,31)(H,28,37)(H,29,38)(H,32,33)(H,34,35)(H,39,40)(H4,22,23,24)/t9-,10-,11-,12-,42?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50368316
PNG
(CHEMBL1790452)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(O)=O
Show InChI InChI=1S/C23H38N8O9S/c1-3-11(2)18-21(38)29-12(5-4-6-26-23(24)25)19(36)27-8-15(32)28-13(7-17(34)35)20(37)30-14(22(39)40)9-41-10-16(33)31-18/h11-14,18H,3-10H2,1-2H3,(H,27,36)(H,28,32)(H,29,38)(H,30,37)(H,31,33)(H,34,35)(H,39,40)(H4,24,25,26)/t11-,12-,13-,14-,18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006335
PNG
(15-Benzyl-6-carboxymethyl-12-(3-guanidino-propyl)-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H36N8O10S/c27-26(28)29-8-4-7-15-22(39)30-11-19(35)31-17(10-21(37)38)24(41)34-18(25(42)43)12-45(44)13-20(36)32-16(23(40)33-15)9-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,30,39)(H,31,35)(H,32,36)(H,33,40)(H,34,41)(H,37,38)(H,42,43)(H4,27,28,29)/t15-,16-,17-,18-,45?/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006317
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-imi...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C23H34N10O9S/c24-23(25)27-3-1-2-12-19(38)28-7-16(34)30-14(5-18(36)37)21(40)33-15(22(41)42)8-43-9-17(35)31-13(20(39)32-12)4-11-6-26-10-29-11/h6,10,12-15H,1-5,7-9H2,(H,26,29)(H,28,38)(H,30,34)(H,31,35)(H,32,39)(H,33,40)(H,36,37)(H,41,42)(H4,24,25,27)/t12-,13+,14-,15-/m0/s1
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PubMed
n/an/a 6.80n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50368322
PNG
(CHEMBL1790454)
Show SMILES C[C@H](O)[C@H]1Nc2cccc(CCSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O)C(O)=O)c2
Show InChI InChI=1S/C27H40N8O9S/c1-14(36)22-25(42)34-17(6-3-8-30-27(28)29)23(40)31-12-20(37)33-18(11-21(38)39)24(41)35-19(26(43)44)13-45-9-7-15-4-2-5-16(10-15)32-22/h2,4-5,10,14,17-19,22,32,36H,3,6-9,11-13H2,1H3,(H,31,40)(H,33,37)(H,34,42)(H,35,41)(H,38,39)(H,43,44)(H4,28,29,30)/t14-,17-,18-,19-,22+/m0/s1
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006313
PNG
(15-Benzyl-6-carboxymethyl-12-(3-guanidino-propyl)-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H36N8O9S/c27-26(28)29-8-4-7-15-22(39)30-11-19(35)31-17(10-21(37)38)24(41)34-18(25(42)43)12-44-13-20(36)32-16(23(40)33-15)9-14-5-2-1-3-6-14/h1-3,5-6,15-18H,4,7-13H2,(H,30,39)(H,31,35)(H,32,36)(H,33,40)(H,34,41)(H,37,38)(H,42,43)(H4,27,28,29)/t15-,16-,17-,18-/m0/s1
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UniProtKB/SwissProt

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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006307
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(4-hydr...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CS(=O)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H36N8O11S/c27-26(28)29-7-1-2-15-22(40)30-10-19(36)31-17(9-21(38)39)24(42)34-18(25(43)44)11-46(45)12-20(37)32-16(23(41)33-15)8-13-3-5-14(35)6-4-13/h3-6,15-18,35H,1-2,7-12H2,(H,30,40)(H,31,36)(H,32,37)(H,33,41)(H,34,42)(H,38,39)(H,43,44)(H4,27,28,29)/t15-,16+,17-,18-,46?/m0/s1
PDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
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