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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with Target = 'Fibrinogen receptor subunit alpha IIb beta 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50277111
PNG
(3-Benzo[1,3]dioxol-5-yl-3-[1-oxo-6-(1,2,3,4-tetrah...)
Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H26N4O6/c34-26(35)15-22(18-5-8-23-25(14-18)38-16-37-23)32-12-9-17-13-19(6-7-20(17)28(32)36)39-24-4-1-3-21-27(24)31-29-30-10-2-11-33(21)29/h1,3-8,13-14,22H,2,9-12,15-16H2,(H,30,31)(H,34,35)
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n/an/a 167n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alpha2beta3 receptor by TRF assay


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50277112
PNG
(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)
Show SMILES OC(=O)CC(N1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O)c1cccnc1
Show InChI InChI=1S/C27H25N5O4/c33-24(34)15-22(18-4-2-10-28-16-18)31-13-9-17-14-19(7-8-20(17)26(31)35)36-23-6-1-5-21-25(23)30-27-29-11-3-12-32(21)27/h1-2,4-8,10,14,16,22H,3,9,11-13,15H2,(H,29,30)(H,33,34)
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n/an/a 323n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alpha2beta3 receptor by TRF assay


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253816
PNG
(CHEMBL460143 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-26-25(16-23)32(3)19-29(2,37-26)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31)
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n/an/a 730n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141981
PNG
(US8927534, 120)
Show SMILES CCc1cc(F)cc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
Show InChI InChI=1/C30H35FN4O3/c1-3-23-18-24(31)16-20(2)28(23)29(36)34-26(30(37)38)17-21-7-9-25(10-8-21)35-14-11-22(12-15-35)19-33-27-6-4-5-13-32-27/h4-10,13,16,18,22,26H,3,11-12,14-15,17,19H2,1-2H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141973
PNG
(US8927534, 114 | US8927534, 83)
Show SMILES Cc1ccnc(NCC2CN(C(=O)C2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1/C30H34N4O4/c1-18-9-10-31-26(13-18)32-16-23-15-27(35)34(17-23)24-7-5-22(6-8-24)14-25(30(37)38)33-29(36)28-20(3)11-19(2)12-21(28)4/h5-13,23,25H,14-17H2,1-4H3,(H,31,32)(H,33,36)(H,37,38)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141979
PNG
(US8927534, 75)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)C3(C)CCCCC3)C(O)=O)cc2)c1
Show InChI InChI=1/C29H40N4O3/c1-21-10-15-30-26(18-21)31-20-23-11-16-33(17-12-23)24-8-6-22(7-9-24)19-25(27(34)35)32-28(36)29(2)13-4-3-5-14-29/h6-10,15,18,23,25H,3-5,11-14,16-17,19-20H2,1-2H3,(H,30,31)(H,32,36)(H,34,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141978
PNG
(US8927534, 29)
Show SMILES CC1(CCCCC1)C(=O)NC(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)C(O)=O
Show InChI InChI=1/C27H40N4O4/c1-27(13-3-2-4-14-27)26(35)30-22(25(33)34)18-19-11-16-31(17-12-19)23(32)10-9-21-8-7-20-6-5-15-28-24(20)29-21/h7-8,19,22H,2-6,9-18H2,1H3,(H,28,29)(H,30,35)(H,33,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141976
PNG
(US8927534, 23)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CCC(CC2)c2ccc3CCCNc3n2)C(O)=O)c(C)c1
Show InChI InChI=1/C32H38N4O3/c1-20-17-21(2)29(22(3)18-20)31(37)35-28(32(38)39)19-23-6-9-26(10-7-23)36-15-12-24(13-16-36)27-11-8-25-5-4-14-33-30(25)34-27/h6-11,17-18,24,28H,4-5,12-16,19H2,1-3H3,(H,33,34)(H,35,37)(H,38,39)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141975
PNG
(US8927534, 20)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CCC(CNc3nc4ccccc4[nH]3)CC2)C(O)=O)c(C)c1
Show InChI InChI=1/C32H37N5O3/c1-20-16-21(2)29(22(3)17-20)30(38)34-28(31(39)40)18-23-8-10-25(11-9-23)37-14-12-24(13-15-37)19-33-32-35-26-6-4-5-7-27(26)36-32/h4-11,16-17,24,28H,12-15,18-19H2,1-3H3,(H,34,38)(H,39,40)(H2,33,35,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141972
PNG
(US8927534, 11)
Show SMILES Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CC(CNc3ccccn3)C2)C(O)=O)c(C)c1
Show InChI InChI=1/C28H32N4O3/c1-18-12-19(2)26(20(3)13-18)27(33)31-24(28(34)35)14-21-7-9-23(10-8-21)32-16-22(17-32)15-30-25-6-4-5-11-29-25/h4-13,22,24H,14-17H2,1-3H3,(H,29,30)(H,31,33)(H,34,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50423721
PNG
(CHEMBL595105)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-20-9-12-32-28(17-20)33-19-25-10-13-35(14-11-25)26-7-5-24(6-8-26)18-27(31(37)38)34-30(36)29-22(3)15-21(2)16-23(29)4/h5-9,12,15-17,25,27H,10-11,13-14,18-19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50423736
PNG
(CHEMBL591543)
Show SMILES COc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H38N4O4/c1-20-15-21(2)29(22(3)16-20)30(36)34-27(31(37)38)17-23-5-7-25(8-6-23)35-13-10-24(11-14-35)19-33-28-18-26(39-4)9-12-32-28/h5-9,12,15-16,18,24,27H,10-11,13-14,17,19H2,1-4H3,(H,32,33)(H,34,36)(H,37,38)
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141986
PNG
(US8927534, 262)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3ccccc3)C(O)=O)cc2)c1
Show InChI InChI=1/C28H32N4O3/c1-20-11-14-29-26(17-20)30-19-22-12-15-32(16-13-22)24-9-7-21(8-10-24)18-25(28(34)35)31-27(33)23-5-3-2-4-6-23/h2-11,14,17,22,25H,12-13,15-16,18-19H2,1H3,(H,29,30)(H,31,33)(H,34,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141990
PNG
(US8927534, 266)
Show SMILES CC(C)C(C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2cc(C)ccn2)CC1)C(O)=O)c1ccccc1
Show InChI InChI=1/C32H40N4O3/c1-22(2)30(26-7-5-4-6-8-26)31(37)35-28(32(38)39)20-24-9-11-27(12-10-24)36-17-14-25(15-18-36)21-34-29-19-23(3)13-16-33-29/h4-13,16,19,22,25,28,30H,14-15,17-18,20-21H2,1-3H3,(H,33,34)(H,35,37)(H,38,39)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM141994
PNG
(US8927534, 269)
Show SMILES CCCNC(=O)NCC1CCN(CC1)c1ccc(CC(NC(=O)c2c(C)cc(C)cc2C)C(O)=O)cc1
Show InChI InChI=1/C29H40N4O4/c1-5-12-30-29(37)31-18-23-10-13-33(14-11-23)24-8-6-22(7-9-24)17-25(28(35)36)32-27(34)26-20(3)15-19(2)16-21(26)4/h6-9,15-16,23,25H,5,10-14,17-18H2,1-4H3,(H,32,34)(H,35,36)(H2,30,31,37)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)

More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253858
PNG
(CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253780
PNG
(CHEMBL517875 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-25-26(16-23)37-29(2,19-32(25)3)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31)
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253716
PNG
((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...)
Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)N[C@@H](CC(O)=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O6/c1-31-21-12-11-19(25(34)30-20(14-23(32)33)17-5-3-2-4-6-17)13-22(21)37-27(26(31)35)36-15-16-7-9-18(10-8-16)24(28)29/h2-13,20,27H,14-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33)/t20-,27?/m0/s1
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n/an/a 1.64E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253313
PNG
(4-{2-[(4-Carbamimidoylphenoxy)methyl]-2,4-dimethyl...)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)CCC(O)=O)ccc12
Show InChI InChI=1S/C22H26N4O5/c1-22(13-30-16-6-3-14(4-7-16)21(23)24)12-26(2)17-8-5-15(11-18(17)31-22)25-19(27)9-10-20(28)29/h3-8,11H,9-10,12-13H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29)
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n/an/a 1.69E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253932
PNG
(CHEMBL459318 | Ethyl 2-(N-{2-[(4-carbamimidoylphen...)
Show SMILES CCOC(=O)CN(C(=O)c1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32N4O5/c1-4-36-26(34)17-33(28(35)21-8-6-5-7-9-21)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-20(11-14-23)27(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253817
PNG
(CHEMBL460144 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253717
PNG
(CHEMBL461191 | Ethyl 3-[2-(4-Carbamimidoylbenzylox...)
Show SMILES CCOC(=O)C(C(=O)Nc1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1
Show InChI InChI=1S/C28H28N4O6/c1-3-36-27(35)23(18-7-5-4-6-8-18)25(33)31-20-13-14-21-22(15-20)38-28(26(34)32(21)2)37-16-17-9-11-19(12-10-17)24(29)30/h4-15,23,28H,3,16H2,1-2H3,(H3,29,30)(H,31,33)
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n/an/a 2.44E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253311
PNG
(CHEMBL494514 | N-{2-[(4-Carbamimidoylphenoxy)methy...)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C25H26N4O3/c1-25(16-31-20-11-8-17(9-12-20)23(26)27)15-29(2)21-13-10-19(14-22(21)32-25)28-24(30)18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H3,26,27)(H,28,30)
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n/an/a 2.85E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50277098
PNG
(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)
Show SMILES OC(=O)CCN1CCc2cc(Oc3cccc4n5CCCNc5nc34)ccc2C1=O
Show InChI InChI=1S/C22H22N4O4/c27-19(28)8-12-25-11-7-14-13-15(5-6-16(14)21(25)29)30-18-4-1-3-17-20(18)24-22-23-9-2-10-26(17)22/h1,3-6,13H,2,7-12H2,(H,23,24)(H,27,28)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alpha2beta3 receptor by TRF assay


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253933
PNG
(CHEMBL459524 | Methyl 2-benzyl-3-{2-[(4-carbamimid...)
Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C29H32N4O5/c1-29(18-37-22-12-9-20(10-13-22)26(30)31)17-33(2)24-14-11-21(16-25(24)38-29)32-27(34)23(28(35)36-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17-18H2,1-3H3,(H3,30,31)(H,32,34)
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n/an/a 9.11E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50277097
PNG
(3-(7-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4c(CCCN(CCC(O)=O)C4=O)c3)cccc12
Show InChI InChI=1S/C21H22N4O4/c1-24-16-5-2-6-17(19(16)23-21(24)22)29-14-7-8-15-13(12-14)4-3-10-25(20(15)28)11-9-18(26)27/h2,5-8,12H,3-4,9-11H2,1H3,(H2,22,23)(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alpha2beta3 receptor by TRF assay


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50277095
PNG
(3-(5-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)Cc4c3)cccc12
Show InChI InChI=1S/C19H18N4O4/c1-22-14-3-2-4-15(17(14)21-19(22)20)27-12-5-6-13-11(9-12)10-23(18(13)26)8-7-16(24)25/h2-6,9H,7-8,10H2,1H3,(H2,20,21)(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alpha2beta3 receptor by TRF assay


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50277096
PNG
(3-(6-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy...)
Show SMILES Cn1c(N)nc2c(Oc3ccc4C(=O)N(CCC(O)=O)CCc4c3)cccc12
Show InChI InChI=1S/C20H20N4O4/c1-23-15-3-2-4-16(18(15)22-20(23)21)28-13-5-6-14-12(11-13)7-9-24(19(14)27)10-8-17(25)26/h2-6,11H,7-10H2,1H3,(H2,21,22)(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human integrin alpha2beta3 receptor by TRF assay


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253900
PNG
(CHEMBL468464 | Ethyl 4-({2-[(4-carbamimidoylphenox...)
Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C30H35N5O5/c1-4-38-28(37)15-14-27(36)35(18-22-7-5-6-16-33-22)23-10-13-25-26(17-23)40-30(2,19-34(25)3)20-39-24-11-8-21(9-12-24)29(31)32/h5-13,16-17H,4,14-15,18-20H2,1-3H3,(H3,31,32)
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n/an/a 1.13E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253778
PNG
(2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-N-phen...)
Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H22N4O4/c1-28-19-12-11-17(22(29)27-18-5-3-2-4-6-18)13-20(19)32-24(23(28)30)31-14-15-7-9-16(10-8-15)21(25)26/h2-13,24H,14H2,1H3,(H3,25,26)(H,27,29)
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253312
PNG
(CHEMBL494715 | Ethyl 4-{2-[(4-carbamimidoylphenoxy...)
Show SMILES CCOC(=O)CCC(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C24H30N4O5/c1-4-31-22(30)12-11-21(29)27-17-7-10-19-20(13-17)33-24(2,14-28(19)3)15-32-18-8-5-16(6-9-18)23(25)26/h5-10,13H,4,11-12,14-15H2,1-3H3,(H3,25,26)(H,27,29)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253779
PNG
(3-[2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-3,4...)
Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)NCCC(O)=O
Show InChI InChI=1S/C21H22N4O6/c1-25-15-7-6-14(19(28)24-9-8-17(26)27)10-16(15)31-21(20(25)29)30-11-12-2-4-13(5-3-12)18(22)23/h2-7,10,21H,8-9,11H2,1H3,(H3,22,23)(H,24,28)(H,26,27)
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n/an/a 1.52E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253682
PNG
((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...)
Show SMILES CCOC(=O)C[C@H](NC(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1
Show InChI InChI=1S/C29H30N4O6/c1-3-37-25(34)16-22(19-7-5-4-6-8-19)32-27(35)21-13-14-23-24(15-21)39-29(28(36)33(23)2)38-17-18-9-11-20(12-10-18)26(30)31/h4-15,22,29H,3,16-17H2,1-2H3,(H3,30,31)(H,32,35)/t22-,29?/m0/s1
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n/an/a 2.46E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253718
PNG
(CHEMBL461192 | Ethyl 2-[2-(4-carbamimidoylbenzylox...)
Show SMILES CCOC(=O)CN(C(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1
Show InChI InChI=1S/C28H28N4O6/c1-3-36-24(33)16-32(21-7-5-4-6-8-21)26(34)20-13-14-22-23(15-20)38-28(27(35)31(22)2)37-17-18-9-11-19(12-10-18)25(29)30/h4-15,28H,3,16-17H2,1-2H3,(H3,29,30)
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n/an/a 2.84E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253860
PNG
(CHEMBL513670 | Ethyl 4-(Benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1
Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-26-27(18-24)40-31(2,20-34(26)3)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33)
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n/an/a 2.93E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253310
PNG
(CHEMBL494513 | Ethyl 2-benzyl-3-{2-[(4-carbamimido...)
Show SMILES CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C30H34N4O5/c1-4-37-29(36)24(16-20-8-6-5-7-9-20)28(35)33-22-12-15-26-25(17-22)34(3)18-30(2,39-26)19-38-23-13-10-21(11-14-23)27(31)32/h5-15,17,24H,4,16,18-19H2,1-3H3,(H3,31,32)(H,33,35)
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n/an/a 3.65E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253898
PNG
(4-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C29H32N4O5/c1-29(19-37-23-11-8-21(9-12-23)28(30)31)18-32(2)24-13-10-22(16-25(24)38-29)33(26(34)14-15-27(35)36)17-20-6-4-3-5-7-20/h3-13,16H,14-15,17-19H2,1-2H3,(H3,30,31)(H,35,36)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253859
PNG
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(Cc1ccccc1)C(=O)C(O)=O
Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-14-20(10-13-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253818
PNG
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)C(O)=O
Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-13-10-20(14-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253777
PNG
(2-[2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-N-p...)
Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)N(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C26H24N4O6/c1-29-20-12-11-18(24(33)30(14-22(31)32)19-5-3-2-4-6-19)13-21(20)36-26(25(29)34)35-15-16-7-9-17(10-8-16)23(27)28/h2-13,26H,14-15H2,1H3,(H3,27,28)(H,31,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair
Fibrinogen receptor subunit alpha IIb beta 3


(Homo sapiens (Human))
BDBM50253899
PNG
(CHEMBL512630 | Ethyl 4-(benzyl{2-[(4-carbamimidoyl...)
Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1
Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-27-26(18-24)34(3)20-31(2,40-27)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor


Citation and Details
More data for this
Ligand-Target Pair