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5 similar compounds to monomer 50004339

Compile data set for download or QSAR
Wt: 462.5
BDBM50004338
Wt: 491.5
BDBM50010182
Wt: 690.7
BDBM50010188
Wt: 449.5
BDBM50035970
Wt: 500.5
BDBM50062786

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50004338,50010182,50010188,50035970,50062786   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50062786
PNG
(((S)-1-{2-[(4-Guanidinomethyl-cyclohexanecarbonyl)...)
Show SMILES NC(=N)NCC1CCC(CC1)C(=O)NCC(=O)N1CCN(CCc2ccccc2)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C25H36N6O5/c26-25(27)29-15-18-6-8-19(9-7-18)23(35)28-16-21(32)31-13-12-30(24(36)20(31)14-22(33)34)11-10-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2,(H,28,35)(H,33,34)(H4,26,27,29)/t18?,19?,20-/m0/s1
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n/an/a 2.63E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50062786
PNG
(((S)-1-{2-[(4-Guanidinomethyl-cyclohexanecarbonyl)...)
Show SMILES NC(=N)NCC1CCC(CC1)C(=O)NCC(=O)N1CCN(CCc2ccccc2)C(=O)[C@@H]1CC(O)=O
Show InChI InChI=1S/C25H36N6O5/c26-25(27)29-15-18-6-8-19(9-7-18)23(35)28-16-21(32)31-13-12-30(24(36)20(31)14-22(33)34)11-10-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2,(H,28,35)(H,33,34)(H4,26,27,29)/t18?,19?,20-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of guinea pig platelets by 50% in vitro


J Med Chem 41: 489-502 (1998)


Article DOI: 10.1021/jm970235u
BindingDB Entry DOI: 10.7270/Q2571B4W
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035970
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...)
Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1
Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)
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n/an/a 9.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.


J Med Chem 38: 34-41 (1995)


Article DOI: 10.1021/jm00001a008
BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035970
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...)
Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1
Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)
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n/an/a 8.20E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of collagen-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


Article DOI: 10.1021/jm00001a008
BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010182
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H33N7O6/c1-14(30)28-16(8-5-10-26-22(23)24)20(34)27-13-18(31)29-17(12-19(32)33)21(35)25-11-9-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3,(H,25,35)(H,27,34)(H,28,30)(H,29,31)(H,32,33)(H4,23,24,26)/t16-,17-/m0/s1
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n/an/a 7.59E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004338
PNG
(N-(1-Carboxy-2-phenyl-ethyl)-3-[8-(diaminomethyl-a...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C22H33N5O6/c23-22(24)25-12-8-3-1-2-7-11-18(28)26-16(14-19(29)30)20(31)27-17(21(32)33)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,1-3,7-8,11-14H2,(H,26,28)(H,27,31)(H,29,30)(H,32,33)(H4,23,24,25)/p-1/t16-,17-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of Fibrinogen receptor binding


J Med Chem 35: 4914-7 (1993)


Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004338
PNG
(N-(1-Carboxy-2-phenyl-ethyl)-3-[8-(diaminomethyl-a...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C22H33N5O6/c23-22(24)25-12-8-3-1-2-7-11-18(28)26-16(14-19(29)30)20(31)27-17(21(32)33)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,1-3,7-8,11-14H2,(H,26,28)(H,27,31)(H,29,30)(H,32,33)(H4,23,24,25)/p-1/t16-,17-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation (PRP)


J Med Chem 35: 4914-7 (1993)


Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010188
PNG
(3-[4-amino(imino)methylamino-1-[4-amino(imino)meth...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H46N12O8/c1-16(42)38-19(10-6-12-36-29(33)34)26(48)40-18(9-5-11-35-28(31)32)25(47)37-15-22(43)39-21(14-23(44)45)27(49)41-20(24(30)46)13-17-7-3-2-4-8-17/h2-4,7-8,18-21H,5-6,9-15H2,1H3,(H2,30,46)(H,37,47)(H,38,42)(H,39,43)(H,40,48)(H,41,49)(H,44,45)(H4,31,32,35)(H4,33,34,36)/t18-,19-,20-,21-/m0/s1
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n/an/a 1.13E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50035970
PNG
(3-(8-Guanidino-octanoylamino)-N-[2-(4-methoxy-phen...)
Show SMILES COc1ccc(CCNC(=O)C(CC(O)=O)NC(=O)CCCCCCCNC(N)=N)cc1
Show InChI InChI=1S/C22H35N5O5/c1-32-17-10-8-16(9-11-17)12-14-25-21(31)18(15-20(29)30)27-19(28)7-5-3-2-4-6-13-26-22(23)24/h8-11,18H,2-7,12-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)(H4,23,24,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid-induced platelet aggregation


J Med Chem 38: 34-41 (1995)


Article DOI: 10.1021/jm00001a008
BindingDB Entry DOI: 10.7270/Q29G5NG8
More data for this
Ligand-Target Pair