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Compile Data Set for Download or QSAR

Found 7 hits of kon data for polymerid = 1340,50005685,5525,8073   
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
Thrombin and coagulation factor VII


(Homo sapiens (human))
BDBM50060703
PNG
((S)-1-(3-Phenyl-3-pyridin-4-yl-propionyl)-pyrrolid...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccncc2)CC1
Show InChI InChI=1S/C26H34N4O2/c27-22-10-8-19(9-11-22)18-29-26(32)24-7-4-16-30(24)25(31)17-23(20-5-2-1-3-6-20)21-12-14-28-15-13-21/h1-3,5-6,12-15,19,22-24H,4,7-11,16-18,27H2,(H,29,32)/t19?,22?,23?,24-/m0/s1
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3.40n/an/an/an/an/a 1.55E+3n/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Thrombin


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (human))
BDBM50060709
PNG
((S)-1-(3-Phenyl-3-pyridin-2-yl-propionyl)-pyrrolid...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccn2)CC1
Show InChI InChI=1S/C26H34N4O2/c27-21-13-11-19(12-14-21)18-29-26(32)24-10-6-16-30(24)25(31)17-22(20-7-2-1-3-8-20)23-9-4-5-15-28-23/h1-5,7-9,15,19,21-22,24H,6,10-14,16-18,27H2,(H,29,32)/t19?,21?,22?,24-/m0/s1
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1.80n/an/an/an/an/a 1.80E+3n/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Thrombin


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (human))
BDBM50060704
PNG
((S)-1-(2-5H-Dibenzo[a,d]cyclohepten-5-yl-acetyl)-p...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3C=Cc3ccccc23)CC1
Show InChI InChI=1S/C29H35N3O2/c30-23-15-11-20(12-16-23)19-31-29(34)27-10-5-17-32(27)28(33)18-26-24-8-3-1-6-21(24)13-14-22-7-2-4-9-25(22)26/h1-4,6-9,13-14,20,23,26-27H,5,10-12,15-19,30H2,(H,31,34)/t20?,23?,27-/m0/s1
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3n/an/an/an/an/a 1.80E+3n/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Thrombin


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (human))
BDBM50060705
PNG
((S)-1-(3,3-Diphenyl-propionyl)-pyrrolidine-2-carbo...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H35N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,20,23-25H,7,12-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1
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2n/an/an/an/an/a 2.10E+3n/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Thrombin


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (human))
BDBM50060707
PNG
((S)-1-(3-Phenyl-3-pyridin-3-yl-propionyl)-pyrrolid...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2cccnc2)CC1
Show InChI InChI=1S/C26H34N4O2/c27-22-12-10-19(11-13-22)17-29-26(32)24-9-5-15-30(24)25(31)16-23(20-6-2-1-3-7-20)21-8-4-14-28-18-21/h1-4,6-8,14,18-19,22-24H,5,9-13,15-17,27H2,(H,29,32)/t19?,22?,23?,24-/m0/s1
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PubMed
2.20n/an/an/an/an/a 2.10E+3n/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Thrombin


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (human))
BDBM50060711
PNG
((S)-1-(3,3-Dicyclohexyl-propionyl)-pyrrolidine-2-c...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1
Show InChI InChI=1S/C27H47N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h20-25H,1-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1
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PubMed
14n/an/an/an/an/a 2.30E+3n/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Thrombin


Citation and Details
More data for this
Ligand-Target Pair
Thrombin and coagulation factor VII


(Homo sapiens (human))
BDBM50060708
PNG
((S)-1-(3-Benzo[1,3]dioxol-5-yl-3-pyridin-3-yl-prop...)
Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2cccnc2)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C27H34N4O4/c28-21-8-5-18(6-9-21)15-30-27(33)23-4-2-12-31(23)26(32)14-22(20-3-1-11-29-16-20)19-7-10-24-25(13-19)35-17-34-24/h1,3,7,10-11,13,16,18,21-23H,2,4-6,8-9,12,14-15,17,28H2,(H,30,33)/t18?,21?,22?,23-/m0/s1
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PubMed
0.280n/an/an/an/an/a 2.51E+3n/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Thrombin


Citation and Details
More data for this
Ligand-Target Pair