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Compile Data Set for Download or QSAR

Found 5 hits of koff data for polymerid = 1341,2414,4226,4338,49001135,50000191,5512,1341,2414,4226,4338,49001135,50000191,5512   
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
Coagulation factor X


(Homo sapiens (human))
BDBM50124992
PNG
(CHEMBL162461 | N-[(R)-4-Guanidino-1-(thiazole-2-ca...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)CN1CCN(CC1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C22H29N7O5S2/c23-22(24)26-8-4-7-17(20(32)21-25-9-12-35-21)27-18(30)13-28-10-11-29(14-19(28)31)36(33,34)15-16-5-2-1-3-6-16/h1-3,5-6,9,12,17H,4,7-8,10-11,13-15H2,(H,27,30)(H4,23,24,26)/t17-/m1/s1
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PubMed
n/an/an/an/an/a 0.0130 2.30E+6n/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards factor Xa


Bioorg Med Chem Lett 13: 723-8 (2003)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50124990
PNG
(CHEMBL355376 | N-[4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc2cccnc12)C(=O)c1nccs1
Show InChI InChI=1S/C24H28N8O5S2/c25-24(26)29-9-3-6-17(22(35)23-28-10-13-38-23)30-19(33)14-31-11-12-32(15-20(31)34)39(36,37)18-7-1-4-16-5-2-8-27-21(16)18/h1-2,4-5,7-8,10,13,17H,3,6,9,11-12,14-15H2,(H,30,33)(H4,25,26,29)
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PubMed
n/an/an/an/an/a 0.107 2.90E+6n/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards factor Xa


Bioorg Med Chem Lett 13: 723-8 (2003)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50124972
PNG
(CHEMBL163174 | N-[4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc2ccccc2c1)C(=O)c1nccs1
Show InChI InChI=1S/C25H29N7O5S2/c26-25(27)29-9-3-6-20(23(35)24-28-10-13-38-24)30-21(33)15-31-11-12-32(16-22(31)34)39(36,37)19-8-7-17-4-1-2-5-18(17)14-19/h1-2,4-5,7-8,10,13-14,20H,3,6,9,11-12,15-16H2,(H,30,33)(H4,26,27,29)
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PubMed
n/an/an/an/an/a 0.132 6.30E+6n/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards factor Xa


Bioorg Med Chem Lett 13: 723-8 (2003)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50124995
PNG
(2-[4-(4-Chloro-benzenesulfonyl)-2-oxo-piperazin-1-...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1nccs1
Show InChI InChI=1S/C21H26ClN7O5S2/c22-14-3-5-15(6-4-14)36(33,34)29-10-9-28(18(31)13-29)12-17(30)27-16(2-1-7-26-21(23)24)19(32)20-25-8-11-35-20/h3-6,8,11,16H,1-2,7,9-10,12-13H2,(H,27,30)(H4,23,24,26)/t16-/m1/s1
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PubMed
n/an/an/an/an/a 0.190 3.40E+6n/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards factor Xa


Bioorg Med Chem Lett 13: 723-8 (2003)

More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50124984
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C24H36N10O5S2/c25-23(26)30-10-4-8-17(20(36)22-29-12-13-40-22)33-19(35)14-32-21(37)18(9-5-11-31-24(27)28)34-41(38,39)15-16-6-2-1-3-7-16/h1-3,6-7,12-13,17-18,34H,4-5,8-11,14-15H2,(H,32,37)(H,33,35)(H4,25,26,30)(H4,27,28,31)/t17-,18-/m1/s1
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PubMed
n/an/an/an/an/a 3.10 6.50E+6n/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards factor Xa


Bioorg Med Chem Lett 13: 723-8 (2003)

More data for this
Ligand-Target Pair