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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'sabatino' and Initial = 'd'   
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
Estrogen receptor [D538G]


(Homo sapiens (Human))
BDBM50370294
PNG
(Examorelin | HEXARELIN | US9708370, Hexareline)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C47H58N12O6/c1-27-34(33-15-7-9-17-37(33)54-27)23-41(58-44(62)35(49)22-31-25-51-26-53-31)45(63)55-28(2)43(61)57-40(21-30-24-52-36-16-8-6-14-32(30)36)47(65)59-39(20-29-12-4-3-5-13-29)46(64)56-38(42(50)60)18-10-11-19-48/h3-9,12-17,24-26,28,35,38-41,52,54H,10-11,18-23,48-49H2,1-2H3,(H2,50,60)(H,51,53)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,59,65)/t28-,35-,38-,39+,40-,41+/m0/s1
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US Patent
n/an/a 6.08n/an/an/an/an/an/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
GHS-R1a radioreceptor assay using LLCPK-1 membranes overexpressing GSH-R1a and radioiodinated (1-28) rat ghrelin as tracer.


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065173
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C22H38N4O7/c1-4-26(18(28)7-5-6-15-8-10-23-11-9-15)13-17(27)24-16(12-19(29)30)21(31)25-20(14(2)3)22(32)33/h14-16,20,23H,4-13H2,1-3H3,(H,24,27)(H,25,31)(H,29,30)(H,32,33)/t16-,20-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065188
PNG
((S)-N-(2-Cyclohexyl-ethyl)-3-{2-[ethyl-(4-piperidi...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)NCCC1CCCCC1)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C25H44N4O5/c1-2-29(23(31)10-6-9-20-11-14-26-15-12-20)18-22(30)28-21(17-24(32)33)25(34)27-16-13-19-7-4-3-5-8-19/h19-21,26H,2-18H2,1H3,(H,27,34)(H,28,30)(H,32,33)/t21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets.


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065177
PNG
((S)-N-[(S)-1-Carboxy-2-(decahydro-naphthalen-1-yl)...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCC2CCCCC12)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C30H50N4O7/c1-2-34(27(36)12-5-7-20-13-15-31-16-14-20)19-26(35)32-24(18-28(37)38)29(39)33-25(30(40)41)17-22-10-6-9-21-8-3-4-11-23(21)22/h20-25,31H,2-19H2,1H3,(H,32,35)(H,33,39)(H,37,38)(H,40,41)/t21?,22?,23?,24-,25-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065185
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CN(CC)C(=O)CCCC1CCNCC1)C(O)=O
Show InChI InChI=1S/C23H40N4O7/c1-3-5-8-17(23(33)34)26-22(32)18(14-21(30)31)25-19(28)15-27(4-2)20(29)9-6-7-16-10-12-24-13-11-16/h16-18,24H,3-15H2,1-2H3,(H,25,28)(H,26,32)(H,30,31)(H,33,34)/t17-,18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065174
PNG
((S)-N-((R)-1-Carboxy-3-cyclohexyl-propyl)-3-{2-[et...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C27H46N4O7/c1-2-31(24(33)10-6-9-20-13-15-28-16-14-20)18-23(32)29-22(17-25(34)35)26(36)30-21(27(37)38)12-11-19-7-4-3-5-8-19/h19-22,28H,2-18H2,1H3,(H,29,32)(H,30,36)(H,34,35)(H,37,38)/t21-,22+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets.


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065167
PNG
((S)-N-((R)-2-Cyclohexyl-1-ethoxycarbonyl-ethyl)-3-...)
Show SMILES CCOC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)CN(CC)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C28H48N4O7/c1-3-32(25(34)12-8-11-20-13-15-29-16-14-20)19-24(33)30-22(18-26(35)36)27(37)31-23(28(38)39-4-2)17-21-9-6-5-7-10-21/h20-23,29H,3-19H2,1-2H3,(H,30,33)(H,31,37)(H,35,36)/t22-,23+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065171
PNG
((S)-N-((S)-1-Carboxy-2-cyclohexyl-ethyl)-3-{2-[eth...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C26H44N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets.


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065177
PNG
((S)-N-[(S)-1-Carboxy-2-(decahydro-naphthalen-1-yl)...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCC2CCCCC12)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C30H50N4O7/c1-2-34(27(36)12-5-7-20-13-15-31-16-14-20)19-26(35)32-24(18-28(37)38)29(39)33-25(30(40)41)17-22-10-6-9-21-8-3-4-11-23(21)22/h20-25,31H,2-19H2,1H3,(H,32,35)(H,33,39)(H,37,38)(H,40,41)/t21?,22?,23?,24-,25-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065182
PNG
((S)-N-((S)-1-Carboxy-2-naphthalen-1-yl-ethyl)-3-{2...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C30H40N4O7/c1-2-34(27(36)12-5-7-20-13-15-31-16-14-20)19-26(35)32-24(18-28(37)38)29(39)33-25(30(40)41)17-22-10-6-9-21-8-3-4-11-23(21)22/h3-4,6,8-11,20,24-25,31H,2,5,7,12-19H2,1H3,(H,32,35)(H,33,39)(H,37,38)(H,40,41)/t24-,25-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets.


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065172
PNG
((S)-N-((S)-1-Carboxy-2-naphthalen-2-yl-ethyl)-3-{2...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C30H40N4O7/c1-2-34(27(36)9-5-6-20-12-14-31-15-13-20)19-26(35)32-24(18-28(37)38)29(39)33-25(30(40)41)17-21-10-11-22-7-3-4-8-23(22)16-21/h3-4,7-8,10-11,16,20,24-25,31H,2,5-6,9,12-15,17-19H2,1H3,(H,32,35)(H,33,39)(H,37,38)(H,40,41)/t24-,25-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets.


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065171
PNG
((S)-N-((S)-1-Carboxy-2-cyclohexyl-ethyl)-3-{2-[eth...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C26H44N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065173
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C22H38N4O7/c1-4-26(18(28)7-5-6-15-8-10-23-11-9-15)13-17(27)24-16(12-19(29)30)21(31)25-20(14(2)3)22(32)33/h14-16,20,23H,4-13H2,1-3H3,(H,24,27)(H,25,31)(H,29,30)(H,32,33)/t16-,20-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065166
PNG
((S)-N-((R)-1-Carbamoyl-2-cyclohexyl-ethyl)-3-{2-[e...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1CCCCC1)C(N)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C26H45N5O6/c1-2-31(23(33)10-6-9-18-11-13-28-14-12-18)17-22(32)29-21(16-24(34)35)26(37)30-20(25(27)36)15-19-7-4-3-5-8-19/h18-21,28H,2-17H2,1H3,(H2,27,36)(H,29,32)(H,30,37)(H,34,35)/t20-,21+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets.


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065174
PNG
((S)-N-((R)-1-Carboxy-3-cyclohexyl-propyl)-3-{2-[et...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C27H46N4O7/c1-2-31(24(33)10-6-9-20-13-15-28-16-14-20)18-23(32)29-22(17-25(34)35)26(36)30-21(27(37)38)12-11-19-7-4-3-5-8-19/h19-22,28H,2-18H2,1H3,(H,29,32)(H,30,36)(H,34,35)(H,37,38)/t21-,22+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065180
PNG
((S)-N-((R)-Carboxy-cyclohexyl-methyl)-3-{2-[ethyl-...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C25H42N4O7/c1-2-29(21(31)10-6-7-17-11-13-26-14-12-17)16-20(30)27-19(15-22(32)33)24(34)28-23(25(35)36)18-8-4-3-5-9-18/h17-19,23,26H,2-16H2,1H3,(H,27,30)(H,28,34)(H,32,33)(H,35,36)/t19-,23+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065186
PNG
((S)-N-((R)-1-Carboxy-2-cycloheptyl-ethyl)-3-{2-[et...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1CCCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C27H46N4O7/c1-2-31(24(33)11-7-10-19-12-14-28-15-13-19)18-23(32)29-21(17-25(34)35)26(36)30-22(27(37)38)16-20-8-5-3-4-6-9-20/h19-22,28H,2-18H2,1H3,(H,29,32)(H,30,36)(H,34,35)(H,37,38)/t21-,22+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065181
PNG
((S)-N-((R)-1-Carboxy-2-cyclopentyl-ethyl)-3-{2-[et...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1CCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C25H42N4O7/c1-2-29(22(31)9-5-8-17-10-12-26-13-11-17)16-21(30)27-19(15-23(32)33)24(34)28-20(25(35)36)14-18-6-3-4-7-18/h17-20,26H,2-16H2,1H3,(H,27,30)(H,28,34)(H,32,33)(H,35,36)/t19-,20+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065184
PNG
((R)-2-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCCC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C28H48N4O7/c1-2-32(25(34)13-7-11-21-14-16-29-17-15-21)19-24(33)30-23(18-26(35)36)27(37)31-22(28(38)39)12-6-10-20-8-4-3-5-9-20/h20-23,29H,2-19H2,1H3,(H,30,33)(H,31,37)(H,35,36)(H,38,39)/t22-,23+/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065178
PNG
((S)-N-((S)-1-Carboxy-2-phenyl-ethyl)-3-{2-[ethyl-(...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C26H38N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h3-5,7-8,18,20-21,27H,2,6,9-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065167
PNG
((S)-N-((R)-2-Cyclohexyl-1-ethoxycarbonyl-ethyl)-3-...)
Show SMILES CCOC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)CN(CC)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C28H48N4O7/c1-3-32(25(34)12-8-11-20-13-15-29-16-14-20)19-24(33)30-22(18-26(35)36)27(37)31-23(28(38)39-4-2)17-21-9-6-5-7-10-21/h20-23,29H,3-19H2,1-2H3,(H,30,33)(H,31,37)(H,35,36)/t22-,23+/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065172
PNG
((S)-N-((S)-1-Carboxy-2-naphthalen-2-yl-ethyl)-3-{2...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C30H40N4O7/c1-2-34(27(36)9-5-6-20-12-14-31-15-13-20)19-26(35)32-24(18-28(37)38)29(39)33-25(30(40)41)17-21-10-11-22-7-3-4-8-23(22)16-21/h3-4,7-8,10-11,16,20,24-25,31H,2,5-6,9,12-15,17-19H2,1H3,(H,32,35)(H,33,39)(H,37,38)(H,40,41)/t24-,25-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065168
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)(C)C)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C24H42N4O7/c1-5-28(20(30)8-6-7-16-9-11-25-12-10-16)15-19(29)26-17(13-21(31)32)22(33)27-18(23(34)35)14-24(2,3)4/h16-18,25H,5-15H2,1-4H3,(H,26,29)(H,27,33)(H,31,32)(H,34,35)/t17-,18-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065188
PNG
((S)-N-(2-Cyclohexyl-ethyl)-3-{2-[ethyl-(4-piperidi...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)NCCC1CCCCC1)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C25H44N4O5/c1-2-29(23(31)10-6-9-20-11-14-26-15-12-20)18-22(30)28-21(17-24(32)33)25(34)27-16-13-19-7-4-3-5-8-19/h19-21,26H,2-18H2,1H3,(H,27,34)(H,28,30)(H,32,33)/t21-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065176
PNG
((S)-N-((R)-1-Carboxy-2-cyclooctyl-ethyl)-3-{2-[eth...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1CCCCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C28H48N4O7/c1-2-32(25(34)12-8-11-20-13-15-29-16-14-20)19-24(33)30-22(18-26(35)36)27(37)31-23(28(38)39)17-21-9-6-4-3-5-7-10-21/h20-23,29H,2-19H2,1H3,(H,30,33)(H,31,37)(H,35,36)(H,38,39)/t22-,23+/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065168
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)(C)C)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C24H42N4O7/c1-5-28(20(30)8-6-7-16-9-11-25-12-10-16)15-19(29)26-17(13-21(31)32)22(33)27-18(23(34)35)14-24(2,3)4/h16-18,25H,5-15H2,1-4H3,(H,26,29)(H,27,33)(H,31,32)(H,34,35)/t17-,18-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065183
PNG
((S)-N-[(S)-1-Carboxy-2-(decahydro-naphthalen-2-yl)...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCC2CCCCC2C1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C30H50N4O7/c1-2-34(27(36)9-5-6-20-12-14-31-15-13-20)19-26(35)32-24(18-28(37)38)29(39)33-25(30(40)41)17-21-10-11-22-7-3-4-8-23(22)16-21/h20-25,31H,2-19H2,1H3,(H,32,35)(H,33,39)(H,37,38)(H,40,41)/t21?,22?,23?,24-,25-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065166
PNG
((S)-N-((R)-1-Carbamoyl-2-cyclohexyl-ethyl)-3-{2-[e...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1CCCCC1)C(N)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C26H45N5O6/c1-2-31(23(33)10-6-9-18-11-13-28-14-12-18)17-22(32)29-21(16-24(34)35)26(37)30-20(25(27)36)15-19-7-4-3-5-8-19/h18-21,28H,2-17H2,1H3,(H2,27,36)(H,29,32)(H,30,37)(H,34,35)/t20-,21+/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065182
PNG
((S)-N-((S)-1-Carboxy-2-naphthalen-1-yl-ethyl)-3-{2...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C30H40N4O7/c1-2-34(27(36)12-5-7-20-13-15-31-16-14-20)19-26(35)32-24(18-28(37)38)29(39)33-25(30(40)41)17-22-10-6-9-21-8-3-4-11-23(21)22/h3-4,6,8-11,20,24-25,31H,2,5,7,12-19H2,1H3,(H,32,35)(H,33,39)(H,37,38)(H,40,41)/t24-,25-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065190
PNG
((S)-N-((R)-2-Cyclohexyl-1-hydroxymethyl-ethyl)-3-{...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)CC1CCCCC1)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C26H46N4O6/c1-2-30(24(33)10-6-9-19-11-13-27-14-12-19)17-23(32)29-22(16-25(34)35)26(36)28-21(18-31)15-20-7-4-3-5-8-20/h19-22,27,31H,2-18H2,1H3,(H,28,36)(H,29,32)(H,34,35)/t21-,22+/m1/s1
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n/an/a 129n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065185
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CN(CC)C(=O)CCCC1CCNCC1)C(O)=O
Show InChI InChI=1S/C23H40N4O7/c1-3-5-8-17(23(33)34)26-22(32)18(14-21(30)31)25-19(28)15-27(4-2)20(29)9-6-7-16-10-12-24-13-11-16/h16-18,24H,3-15H2,1-2H3,(H,25,28)(H,26,32)(H,30,31)(H,33,34)/t17-,18-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065192
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(5-piperidin-4-yl...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)CCCCC1CCNCC1
Show InChI InChI=1S/C23H40N4O7/c1-4-27(19(29)8-6-5-7-16-9-11-24-12-10-16)14-18(28)25-17(13-20(30)31)22(32)26-21(15(2)3)23(33)34/h15-17,21,24H,4-14H2,1-3H3,(H,25,28)(H,26,32)(H,30,31)(H,33,34)/t17-,21-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065169
PNG
((R)-2-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(C)C)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C22H38N4O7/c1-4-26(18(28)7-5-6-15-8-10-23-11-9-15)13-17(27)24-16(12-19(29)30)21(31)25-20(14(2)3)22(32)33/h14-16,20,23H,4-13H2,1-3H3,(H,24,27)(H,25,31)(H,29,30)(H,32,33)/t16-,20+/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled fibrinogen binding to activated human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065165
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(6-guanidino-hexa...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)CCCCCNC(N)=N
Show InChI InChI=1S/C20H36N6O7/c1-4-26(15(28)8-6-5-7-9-23-20(21)22)11-14(27)24-13(10-16(29)30)18(31)25-17(12(2)3)19(32)33/h12-13,17H,4-11H2,1-3H3,(H,24,27)(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23)/t13-,17-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Estrogen receptor [D538G]


(Homo sapiens (Human))
BDBM50395024
PNG
(CHEMBL2163444 | US9708370, CP-2A(v))
Show SMILES C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C41H51N11O6/c1-24(43)37(54)48-35(21-27-23-46-31-16-8-6-14-29(27)31)40(57)51-52-41(58)50-34(20-26-22-45-30-15-7-5-13-28(26)30)39(56)49-33(19-25-11-3-2-4-12-25)38(55)47-32(36(44)53)17-9-10-18-42/h2-8,11-16,22-24,32-35,45-46H,9-10,17-21,42-43H2,1H3,(H2,44,53)(H,47,55)(H,48,54)(H,49,56)(H,51,57)(H2,50,52,58)/t24-,32-,33+,34-,35+/m0/s1
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n/an/a 568n/an/an/an/an/an/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
GHS-R1a radioreceptor assay using LLCPK-1 membranes overexpressing GSH-R1a and radioiodinated (1-28) rat ghrelin as tracer.


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065187
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(5-guanidino-pent...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)CCCCNC(N)=N
Show InChI InChI=1S/C19H34N6O7/c1-4-25(14(27)7-5-6-8-22-19(20)21)10-13(26)23-12(9-15(28)29)17(30)24-16(11(2)3)18(31)32/h11-12,16H,4-10H2,1-3H3,(H,23,26)(H,24,30)(H,28,29)(H,31,32)(H4,20,21,22)/t12-,16-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065169
PNG
((R)-2-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(C)C)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C22H38N4O7/c1-4-26(18(28)7-5-6-15-8-10-23-11-9-15)13-17(27)24-16(12-19(29)30)21(31)25-20(14(2)3)22(32)33/h14-16,20,23H,4-13H2,1-3H3,(H,24,27)(H,25,31)(H,29,30)(H,32,33)/t16-,20+/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065189
PNG
((S)-2-((S)-3-Carboxy-2-{2-[ethyl-(3-piperidin-4-yl...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)CCC1CCNCC1
Show InChI InChI=1S/C21H36N4O7/c1-4-25(17(27)6-5-14-7-9-22-10-8-14)12-16(26)23-15(11-18(28)29)20(30)24-19(13(2)3)21(31)32/h13-15,19,22H,4-12H2,1-3H3,(H,23,26)(H,24,30)(H,28,29)(H,31,32)/t15-,19-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065170
PNG
((S)-2-{(S)-3-Carboxy-2-[2-(4-piperidin-4-yl-butyry...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)CCCC1CCNCC1)C(O)=O
Show InChI InChI=1S/C20H34N4O7/c1-12(2)18(20(30)31)24-19(29)14(10-17(27)28)23-16(26)11-22-15(25)5-3-4-13-6-8-21-9-7-13/h12-14,18,21H,3-11H2,1-2H3,(H,22,25)(H,23,26)(H,24,29)(H,27,28)(H,30,31)/t14-,18-/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)
BDBM50395001
PNG
(CHEMBL2163478 | US9708370, DBG-253-1)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C43H54N12O6/c1-27(50-41(59)37(21-30-23-48-34-17-9-8-16-32(30)34)52-40(58)33(45)22-31-24-47-26-49-31)39(57)54-55(25-29-14-6-3-7-15-29)43(61)53-36(20-28-12-4-2-5-13-28)42(60)51-35(38(46)56)18-10-11-19-44/h2-9,12-17,23-24,26-27,33,35-37,48H,10-11,18-22,25,44-45H2,1H3,(H2,46,56)(H,47,49)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,57)/t27-,33-,35-,36+,37+/m0/s1
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n/an/a 1.34E+3n/an/an/an/a7.3n/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
Competition experiments were performed by incubating 50 μg of LLC-PK1 membranes expressing human GHS-R1a with 15 fmol of 125I-Ghrelin and increa...


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065191
PNG
((S)-N-((R)-1-Carboxy-2-cyclohexyl-ethyl)-3-{2-[eth...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C26H44N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21+/m0/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)
BDBM263222
PNG
(US9708370, DBG-175p)
Show SMILES C[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
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n/an/a 1.80E+3n/an/an/an/a7.3n/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
Competition experiments were performed by incubating 50 μg of LLC-PK1 membranes expressing human GHS-R1a with 15 fmol of 125I-Ghrelin and increa...


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065179
PNG
((S)-2-{(S)-3-Carboxy-2-[2-(5-guanidino-pentanoylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)CCCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C17H30N6O7/c1-9(2)14(16(29)30)23-15(28)10(7-13(26)27)22-12(25)8-21-11(24)5-3-4-6-20-17(18)19/h9-10,14H,3-8H2,1-2H3,(H,21,24)(H,22,25)(H,23,28)(H,26,27)(H,29,30)(H4,18,19,20)/t10-,14-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)
BDBM50395002
PNG
(CHEMBL2163477 | US9708370, DBG-201-A)
Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C48H61N13O6/c1-29(2)27-61(60-47(66)42(22-32-25-54-38-17-9-7-15-35(32)38)57-44(63)36(50)23-33-26-52-28-55-33)48(67)59-41(21-31-24-53-37-16-8-6-14-34(31)37)46(65)58-40(20-30-12-4-3-5-13-30)45(64)56-39(43(51)62)18-10-11-19-49/h3-9,12-17,24-26,28-29,36,39-42,53-54H,10-11,18-23,27,49-50H2,1-2H3,(H2,51,62)(H,52,55)(H,56,64)(H,57,63)(H,58,65)(H,59,67)(H,60,66)/t36-,39-,40+,41-,42+/m0/s1
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n/an/a 2.89E+3n/an/an/an/a7.3n/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
Competition experiments were performed by incubating 50 μg of LLC-PK1 membranes expressing human GHS-R1a with 15 fmol of 125I-Ghrelin and increa...


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)
BDBM263256
PNG
(US9708370, 67 ZS555-F40 | US9708370, ZS555-F40)
Show SMILES C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
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n/an/a 2.95E+3n/an/an/an/a7.3n/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
Competition experiments were performed by incubating 50 μg of LLC-PK1 membranes expressing human GHS-R1a with 15 fmol of 125I-Ghrelin and increa...


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)
BDBM50370294
PNG
(Examorelin | HEXARELIN | US9708370, Hexareline)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C47H58N12O6/c1-27-34(33-15-7-9-17-37(33)54-27)23-41(58-44(62)35(49)22-31-25-51-26-53-31)45(63)55-28(2)43(61)57-40(21-30-24-52-36-16-8-6-14-32(30)36)47(65)59-39(20-29-12-4-3-5-13-29)46(64)56-38(42(50)60)18-10-11-19-48/h3-9,12-17,24-26,28,35,38-41,52,54H,10-11,18-23,48-49H2,1-2H3,(H2,50,60)(H,51,53)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,59,65)/t28-,35-,38-,39+,40-,41+/m0/s1
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n/an/a 2.97E+3n/an/an/an/a7.3n/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
Competition experiments were performed by incubating 50 μg of LLC-PK1 membranes expressing human GHS-R1a with 15 fmol of 125I-Ghrelin and increa...


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)
BDBM50370294
PNG
(Examorelin | HEXARELIN | US9708370, Hexareline)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C47H58N12O6/c1-27-34(33-15-7-9-17-37(33)54-27)23-41(58-44(62)35(49)22-31-25-51-26-53-31)45(63)55-28(2)43(61)57-40(21-30-24-52-36-16-8-6-14-32(30)36)47(65)59-39(20-29-12-4-3-5-13-29)46(64)56-38(42(50)60)18-10-11-19-48/h3-9,12-17,24-26,28,35,38-41,52,54H,10-11,18-23,48-49H2,1-2H3,(H2,50,60)(H,51,53)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,59,65)/t28-,35-,38-,39+,40-,41+/m0/s1
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n/an/a 3.33E+3n/an/an/an/a7.3n/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
Competition experiments were performed by incubating 50 μg of LLC-PK1 membranes expressing human GHS-R1a with 15 fmol of 125I-Ghrelin and increa...


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50065175
PNG
(1-((S)-3-Carboxy-2-{2-[ethyl-(4-piperidin-4-yl-but...)
Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)NC1(CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1
Show InChI InChI=1S/C24H40N4O7/c1-2-28(20(30)8-6-7-17-9-13-25-14-10-17)16-19(29)26-18(15-21(31)32)22(33)27-24(23(34)35)11-4-3-5-12-24/h17-18,25H,2-16H2,1H3,(H,26,29)(H,27,33)(H,31,32)(H,34,35)/t18-/m0/s1
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n/an/a 3.41E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Ability of the compound to inhibit the aggregation of fixed human platelets


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50241180
PNG
((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibition of HUVEC adhesion to fibrinogen-coated plates


J Med Chem 41: 2492-502 (1998)


Article DOI: 10.1021/jm9801096
BindingDB Entry DOI: 10.7270/Q2057F28
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)
BDBM50395019
PNG
(CHEMBL2163449 | US9708370, CP-2B(v))
Show SMILES CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C45H59N11O6/c1-27(2)26-56(55-44(61)39(52-41(58)28(3)47)23-31-25-50-35-18-10-8-16-33(31)35)45(62)54-38(22-30-24-49-34-17-9-7-15-32(30)34)43(60)53-37(21-29-13-5-4-6-14-29)42(59)51-36(40(48)57)19-11-12-20-46/h4-10,13-18,24-25,27-28,36-39,49-50H,11-12,19-23,26,46-47H2,1-3H3,(H2,48,57)(H,51,59)(H,52,58)(H,53,60)(H,54,62)(H,55,61)/t28-,36-,37+,38-,39+/m0/s1
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n/an/a 3.68E+3n/an/an/an/a7.3n/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
Competition experiments were performed by incubating 50 μg of LLC-PK1 membranes expressing human GHS-R1a with 15 fmol of 125I-Ghrelin and increa...


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
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