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7 similar compounds to monomer 50045995

Compile data set for download or QSAR
Wt: 426.5
BDBM50003510
Wt: 378.4
BDBM50045958
Wt: 441.5
BDBM50045963
Wt: 476.5
BDBM50045971
Wt: 432.4
BDBM50045972
Wt: 424.5
BDBM50045991
Wt: 362.4
BDBM50046006

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50003510,50045958,50045963,50045971,50045972,50045991,50046006   
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
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003510
PNG
(CHEMBL103753 | [4-(3-Hydroxy-3,3-diphenyl-propiony...)
Show SMILES OC(CC(=O)N1CCN(CC1)C(C#N)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c27-19-24(21-8-7-13-28-20-21)29-14-16-30(17-15-29)25(31)18-26(32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,20,24,32H,14-18H2
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n/an/a 21n/an/an/an/an/an/a



J. Uriach& C£a.S.A.

Curated by ChEMBL


Assay Description
Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.


J Med Chem 35: 4118-34 (1992)


Article DOI: 10.1021/jm00100a018
BindingDB Entry DOI: 10.7270/Q228087F
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50003510
PNG
(CHEMBL103753 | [4-(3-Hydroxy-3,3-diphenyl-propiony...)
Show SMILES OC(CC(=O)N1CCN(CC1)C(C#N)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c27-19-24(21-8-7-13-28-20-21)29-14-16-30(17-15-29)25(31)18-26(32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,20,24,32H,14-18H2
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n/an/a 21n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF-induced platelet aggregation in male rabbits


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50045991
PNG
(CHEMBL100642 | [4-(3,3-Diphenyl-propionyl)-piperaz...)
Show SMILES Cc1ncccc1C(C#N)N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N4O/c1-21-24(13-8-14-29-21)26(20-28)30-15-17-31(18-16-30)27(32)19-25(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,25-26H,15-19H2,1H3
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n/an/a 18n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Inhibition of PAF-induced platelet aggregation


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50046006
PNG
((2-Methyl-pyridin-3-yl)-[4-(3-phenyl-butyryl)-pipe...)
Show SMILES CC(CC(=O)N1CCN(CC1)C(C#N)c1cccnc1C)c1ccccc1
Show InChI InChI=1S/C22H26N4O/c1-17(19-7-4-3-5-8-19)15-22(27)26-13-11-25(12-14-26)21(16-23)20-9-6-10-24-18(20)2/h3-10,17,21H,11-15H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF-induced platelet aggregation in male rabbits


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50045972
PNG
((2-Methyl-pyridin-3-yl)-[4-(4,4,4-trifluoro-3-hydr...)
Show SMILES Cc1ncccc1C(C#N)N1CCN(CC1)C(=O)CC(O)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O2/c1-16-18(8-5-9-27-16)19(15-26)28-10-12-29(13-11-28)20(30)14-21(31,22(23,24)25)17-6-3-2-4-7-17/h2-9,19,31H,10-14H2,1H3
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n/an/a 14n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF-induced platelet aggregation in male rabbits


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50045971
PNG
(CHEMBL99794 | {4-[3,3-Bis-(4-fluoro-phenyl)-3-hydr...)
Show SMILES Cc1ncccc1C(C#N)N1CCN(CC1)C(=O)CC(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H26F2N4O2/c1-19-24(3-2-12-31-19)25(18-30)32-13-15-33(16-14-32)26(34)17-27(35,20-4-8-22(28)9-5-20)21-6-10-23(29)11-7-21/h2-12,25,35H,13-17H2,1H3
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n/an/a 75n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF-induced platelet aggregation in male rabbits


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50045963
PNG
(CHEMBL100522 | [4-(3-Hydroxy-3-phenyl-3-pyridin-3-...)
Show SMILES Cc1ncccc1C(C#N)N1CCN(CC1)C(=O)CC(O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C26H27N5O2/c1-20-23(10-6-12-29-20)24(18-27)30-13-15-31(16-14-30)25(32)17-26(33,21-7-3-2-4-8-21)22-9-5-11-28-19-22/h2-12,19,24,33H,13-17H2,1H3
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n/an/a 32n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF-induced platelet aggregation in male rabbits


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50045958
PNG
(CHEMBL99833 | [4-(3-Hydroxy-3-phenyl-butyryl)-pipe...)
Show SMILES Cc1ncccc1C(C#N)N1CCN(CC1)C(=O)CC(C)(O)c1ccccc1
Show InChI InChI=1S/C22H26N4O2/c1-17-19(9-6-10-24-17)20(16-23)25-11-13-26(14-12-25)21(27)15-22(2,28)18-7-4-3-5-8-18/h3-10,20,28H,11-15H2,1-2H3
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n/an/a 36n/an/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of PAF-induced platelet aggregation in male rabbits


J Med Chem 36: 2984-97 (1993)


Article DOI: 10.1021/jm00072a019
BindingDB Entry DOI: 10.7270/Q2ZS2VKZ
More data for this
Ligand-Target Pair