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Compile Data Set for Download or QSAR

Found 629 hits with Last Name = 'vu' and Initial = 'p'   
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
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50398057
PNG
(CHEMBL2181924)
Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2
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0.00250n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate


J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111728
PNG
(4-Fluoro-2-({1-[((R)-1-formyl-4-guanidino-butylcar...)
Show SMILES COC(=O)c1ccc(F)cc1CS(=O)(=O)Nc1ccc(C)n(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)c1=O
Show InChI InChI=1S/C23H29FN6O8S/c1-13-5-8-17(29-39(36,37)12-14-10-15(24)6-7-16(14)22(35)38-2)20(32)30(13)11-19(31)28-18(21(33)34)4-3-9-27-23(25)26/h5-8,10,18,29H,3-4,9,11-12H2,1-2H3,(H,28,31)(H,33,34)(H4,25,26,27)/t18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111741
PNG
(CHEMBL19666 | N-(5-Carbamimidoyl-thiophen-2-ylmeth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N
Show InChI InChI=1S/C21H23N5O4S2/c1-14-7-9-17(25-32(29,30)13-15-5-3-2-4-6-15)21(28)26(14)12-19(27)24-11-16-8-10-18(31-16)20(22)23/h2-10,25H,11-13H2,1H3,(H3,22,23)(H,24,27)
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0.100n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111729
PNG
(CHEMBL277695 | N-(5-Carbamimidoyl-thiophen-2-ylmet...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N
Show InChI InChI=1S/C21H24N6O2S/c1-14-11-26-20(24-10-9-15-5-3-2-4-6-15)21(29)27(14)13-18(28)25-12-16-7-8-17(30-16)19(22)23/h2-8,11H,9-10,12-13H2,1H3,(H3,22,23)(H,24,26)(H,25,28)
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0.120n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111730
PNG
(2-[3-(2-Fluoro-phenylmethanesulfonylamino)-6-methy...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C21H27FN6O6S/c1-13-8-9-16(27-35(33,34)12-14-5-2-3-6-15(14)22)19(30)28(13)11-18(29)26-17(20(31)32)7-4-10-25-21(23)24/h2-3,5-6,8-9,17,27H,4,7,10-12H2,1H3,(H,26,29)(H,31,32)(H4,23,24,25)/t17-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111724
PNG
(CHEMBL19731 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H25N5O4S/c1-16-7-12-20(27-33(31,32)15-18-5-3-2-4-6-18)23(30)28(16)14-21(29)26-13-17-8-10-19(11-9-17)22(24)25/h2-12,27H,13-15H2,1H3,(H3,24,25)(H,26,29)
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0.370n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374600
PNG
(CHEMBL272899)
Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3
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0.560n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate


J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111717
PNG
(2-[3-(2-Fluoro-phenylmethanesulfonylamino)-2-oxo-2...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O)C(O)=O
Show InChI InChI=1S/C20H25FN6O6S/c21-14-6-2-1-5-13(14)12-34(32,33)26-15-8-4-10-27(18(15)29)11-17(28)25-16(19(30)31)7-3-9-24-20(22)23/h1-2,4-6,8,10,16,26H,3,7,9,11-12H2,(H,25,28)(H,30,31)(H4,22,23,24)/t16-/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111726
PNG
(CHEMBL19359 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H26N6O2/c1-16-13-28-22(26-12-11-17-5-3-2-4-6-17)23(31)29(16)15-20(30)27-14-18-7-9-19(10-8-18)21(24)25/h2-10,13H,11-12,14-15H2,1H3,(H3,24,25)(H,26,28)(H,27,30)
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0.570n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067796
PNG
(CHEMBL11157 | L-374087 | N-((6-amino-2-methylpyrid...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H25N5O4S/c1-15-8-10-19(26-32(30,31)14-17-6-4-3-5-7-17)22(29)27(15)13-21(28)24-12-18-9-11-20(23)25-16(18)2/h3-11,26H,12-14H2,1-2H3,(H2,23,25)(H,24,28)
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0.680n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50398057
PNG
(CHEMBL2181924)
Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2
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0.960n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate


J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111739
PNG
(CHEMBL19811 | N-((S)-2-Amino-1,4,5,6-tetrahydro-py...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CNC(N)=NC1 |c:30|
Show InChI InChI=1S/C20H26N6O4S/c1-14-7-8-17(25-31(29,30)13-15-5-3-2-4-6-15)19(28)26(14)12-18(27)22-9-16-10-23-20(21)24-11-16/h2-8,16,25H,9-13H2,1H3,(H,22,27)(H3,21,23,24)
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1n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50067797
PNG
(CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O
Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)
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1n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111738
PNG
(CHEMBL274968 | N-((4R,5S)-2-Amino-4-methyl-1,4,5,6...)
Show SMILES C[C@H]1N=C(N)NC[C@H]1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O |t:2|
Show InChI InChI=1S/C21H28N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,15,17,26H,10-13H2,1-2H3,(H,23,28)(H3,22,24,25)/t15-,17-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111714
PNG
(CHEMBL416912 | N-(4-Carbamimidoyl-2-methoxy-benzyl...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O
Show InChI InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)
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1.60n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374600
PNG
(CHEMBL272899)
Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat brain homogenate


J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Binding affinity to EBP


J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111742
PNG
(CHEMBL417635 | N-((S)-2-Amino-1,4,5,6-tetrahydro-p...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CNC(N)=NC1 |c:28|
Show InChI InChI=1S/C20H27N7O2/c1-14-9-24-18(22-8-7-15-5-3-2-4-6-15)19(29)27(14)13-17(28)23-10-16-11-25-20(21)26-12-16/h2-6,9,16H,7-8,10-13H2,1H3,(H,22,24)(H,23,28)(H3,21,25,26)
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1.90n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111736
PNG
(CHEMBL19548 | N-((4R,5S)-2-Amino-4-methyl-1,4,5,6-...)
Show SMILES C[C@H]1N=C(N)NC[C@H]1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O |t:2|
Show InChI InChI=1S/C21H29N7O2/c1-14-10-25-19(23-9-8-16-6-4-3-5-7-16)20(30)28(14)13-18(29)24-11-17-12-26-21(22)27-15(17)2/h3-7,10,15,17H,8-9,11-13H2,1-2H3,(H,23,25)(H,24,29)(H3,22,26,27)/t15-,17-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3.30n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate


J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3.40n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat brain homogenate


J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111720
PNG
(CHEMBL19619 | N-(4-Carbamimidoyl-3-fluoro-benzyl)-...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=N)c(F)c1
Show InChI InChI=1S/C23H24FN5O4S/c1-15-7-10-20(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)27-12-17-8-9-18(22(25)26)19(24)11-17/h2-11,28H,12-14H2,1H3,(H3,25,26)(H,27,30)
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3.60n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111729
PNG
(CHEMBL277695 | N-(5-Carbamimidoyl-thiophen-2-ylmet...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N
Show InChI InChI=1S/C21H24N6O2S/c1-14-11-26-20(24-10-9-15-5-3-2-4-6-15)21(29)27(14)13-18(28)25-12-16-7-8-17(30-16)19(22)23/h2-8,11H,9-10,12-13H2,1H3,(H3,22,23)(H,24,26)(H,25,28)
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4.40n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111732
PNG
(CHEMBL19453 | N-(4-Carbamimidoyl-benzyl)-2-[3-(3-m...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C22H23N5O5S/c1-32-17-4-2-5-18(12-17)33(30,31)26-19-6-3-11-27(22(19)29)14-20(28)25-13-15-7-9-16(10-8-15)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28)
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5.30n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111725
PNG
(CHEMBL19689 | N-(5-Amino-pyrazin-2-ylmethyl)-2-(3-...)
Show SMILES Cc1cnc(NCC2(CCC2)c2ccc(Cl)cc2)c(=O)n1CC(=O)NCc1cnc(N)cn1
Show InChI InChI=1S/C23H26ClN7O2/c1-15-9-29-21(30-14-23(7-2-8-23)16-3-5-17(24)6-4-16)22(33)31(15)13-20(32)28-11-18-10-27-19(25)12-26-18/h3-6,9-10,12H,2,7-8,11,13-14H2,1H3,(H2,25,27)(H,28,32)(H,29,30)
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5.5n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111731
PNG
(CHEMBL19740 | N-(5-Amino-pyrazin-2-ylmethyl)-2-{3-...)
Show SMILES Cc1cnc(NCC(F)(F)c2ccc(F)cc2)c(=O)n1CC(=O)NCc1cnc(N)cn1
Show InChI InChI=1S/C20H20F3N7O2/c1-12-6-28-18(29-11-20(22,23)13-2-4-14(21)5-3-13)19(32)30(12)10-17(31)27-8-15-7-26-16(24)9-25-15/h2-7,9H,8,10-11H2,1H3,(H2,24,26)(H,27,31)(H,28,29)
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5.90n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111716
PNG
(CHEMBL19798 | N-(4-Carbamimidoyl-thiazol-2-ylmethy...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2nc(cs2)C(N)=N)c1=O
Show InChI InChI=1S/C19H20N6O5S2/c1-30-12-4-2-5-13(8-12)32(28,29)24-14-6-3-7-25(19(14)27)10-16(26)22-9-17-23-15(11-31-17)18(20)21/h2-8,11,24H,9-10H2,1H3,(H3,20,21)(H,22,26)
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5.90n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111718
PNG
(CHEMBL279199 | N-(4-Carbamimidoyl-2-fluoro-benzyl)...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2F)C(N)=N)c1=O
Show InChI InChI=1S/C22H22FN5O5S/c1-33-16-4-2-5-17(11-16)34(31,32)27-19-6-3-9-28(22(19)30)13-20(29)26-12-15-8-7-14(21(24)25)10-18(15)23/h2-11,27H,12-13H2,1H3,(H3,24,25)(H,26,29)
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6n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111746
PNG
(CHEMBL282028 | N-(5-Amino-pyrazin-2-ylmethyl)-2-[3...)
Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1
Show InChI InChI=1S/C20H21F2N7O2/c1-13-7-27-18(28-12-20(21,22)14-5-3-2-4-6-14)19(31)29(13)11-17(30)26-9-15-8-25-16(23)10-24-15/h2-8,10H,9,11-12H2,1H3,(H2,23,25)(H,26,30)(H,27,28)
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9.80n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111730
PNG
(2-[3-(2-Fluoro-phenylmethanesulfonylamino)-6-methy...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2F)c(=O)n1CC(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C21H27FN6O6S/c1-13-8-9-16(27-35(33,34)12-14-5-2-3-6-15(14)22)19(30)28(13)11-18(29)26-17(20(31)32)7-4-10-25-21(23)24/h2-3,5-6,8-9,17,27H,4,7,10-12H2,1H3,(H,26,29)(H,31,32)(H4,23,24,25)/t17-/m1/s1
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12n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111714
PNG
(CHEMBL416912 | N-(4-Carbamimidoyl-2-methoxy-benzyl...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O
Show InChI InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)
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12n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111743
PNG
(2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=NO[Si](C)(C)C(C)(C)C |w:29.32|
Show InChI InChI=1S/C27H38N6O3SSi/c1-19-16-31-25(29-15-14-20-10-8-7-9-11-20)26(35)33(19)18-23(34)30-17-21-12-13-22(37-21)24(28)32-36-38(5,6)27(2,3)4/h7-13,16H,14-15,17-18H2,1-6H3,(H2,28,32)(H,29,31)(H,30,34)
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13n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111741
PNG
(CHEMBL19666 | N-(5-Carbamimidoyl-thiophen-2-ylmeth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N
Show InChI InChI=1S/C21H23N5O4S2/c1-14-7-9-17(25-32(29,30)13-15-5-3-2-4-6-15)21(28)26(14)12-19(27)24-11-16-8-10-18(31-16)20(22)23/h2-10,25H,11-13H2,1H3,(H3,22,23)(H,24,27)
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14n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111728
PNG
(4-Fluoro-2-({1-[((R)-1-formyl-4-guanidino-butylcar...)
Show SMILES COC(=O)c1ccc(F)cc1CS(=O)(=O)Nc1ccc(C)n(CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)c1=O
Show InChI InChI=1S/C23H29FN6O8S/c1-13-5-8-17(29-39(36,37)12-14-10-15(24)6-7-16(14)22(35)38-2)20(32)30(13)11-19(31)28-18(21(33)34)4-3-9-27-23(25)26/h5-8,10,18,29H,3-4,9,11-12H2,1-2H3,(H,28,31)(H,33,34)(H4,25,26,27)/t18-/m1/s1
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17n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111732
PNG
(CHEMBL19453 | N-(4-Carbamimidoyl-benzyl)-2-[3-(3-m...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C22H23N5O5S/c1-32-17-4-2-5-18(12-17)33(30,31)26-19-6-3-11-27(22(19)29)14-20(28)25-13-15-7-9-16(10-8-15)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28)
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19n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111726
PNG
(CHEMBL19359 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H26N6O2/c1-16-13-28-22(26-12-11-17-5-3-2-4-6-17)23(31)29(16)15-20(30)27-14-18-7-9-19(10-8-18)21(24)25/h2-10,13H,11-12,14-15H2,1H3,(H3,24,25)(H,26,28)(H,27,30)
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20n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111721
PNG
(CHEMBL283555 | N-(4-Carbamimidoyl-2-chloro-benzyl)...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2Cl)C(N)=N)c1=O
Show InChI InChI=1S/C22H22ClN5O5S/c1-33-16-4-2-5-17(11-16)34(31,32)27-19-6-3-9-28(22(19)30)13-20(29)26-12-15-8-7-14(21(24)25)10-18(15)23/h2-11,27H,12-13H2,1H3,(H3,24,25)(H,26,29)
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21n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111717
PNG
(2-[3-(2-Fluoro-phenylmethanesulfonylamino)-2-oxo-2...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O)C(O)=O
Show InChI InChI=1S/C20H25FN6O6S/c21-14-6-2-1-5-13(14)12-34(32,33)26-15-8-4-10-27(18(15)29)11-17(28)25-16(19(30)31)7-3-9-24-20(22)23/h1-2,4-6,8,10,16,26H,3,7,9,11-12H2,(H,25,28)(H,30,31)(H4,22,23,24)/t16-/m1/s1
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21n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111722
PNG
(CHEMBL19644 | N-[5-(N-Hydroxycarbamimidoyl)-thioph...)
Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(=N)NO
Show InChI InChI=1S/C21H24N6O3S/c1-14-11-25-20(23-10-9-15-5-3-2-4-6-15)21(29)27(14)13-18(28)24-12-16-7-8-17(31-16)19(22)26-30/h2-8,11,30H,9-10,12-13H2,1H3,(H2,22,26)(H,23,25)(H,24,28)
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31n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111718
PNG
(CHEMBL279199 | N-(4-Carbamimidoyl-2-fluoro-benzyl)...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2F)C(N)=N)c1=O
Show InChI InChI=1S/C22H22FN5O5S/c1-33-16-4-2-5-17(11-16)34(31,32)27-19-6-3-9-28(22(19)30)13-20(29)26-12-15-8-7-14(21(24)25)10-18(15)23/h2-11,27H,12-13H2,1H3,(H3,24,25)(H,26,29)
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31n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111724
PNG
(CHEMBL19731 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H25N5O4S/c1-16-7-12-20(27-33(31,32)15-18-5-3-2-4-6-18)23(30)28(16)14-21(29)26-13-17-8-10-19(11-9-17)22(24)25/h2-12,27H,13-15H2,1H3,(H3,24,25)(H,26,29)
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49n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111721
PNG
(CHEMBL283555 | N-(4-Carbamimidoyl-2-chloro-benzyl)...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2Cl)C(N)=N)c1=O
Show InChI InChI=1S/C22H22ClN5O5S/c1-33-16-4-2-5-17(11-16)34(31,32)27-19-6-3-9-28(22(19)30)13-20(29)26-12-15-8-7-14(21(24)25)10-18(15)23/h2-11,27H,12-13H2,1H3,(H3,24,25)(H,26,29)
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77n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111714
PNG
(CHEMBL416912 | N-(4-Carbamimidoyl-2-methoxy-benzyl...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2OC)C(N)=N)c1=O
Show InChI InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)
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77n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against factor Xa (FXa) was tested


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111733
PNG
(CHEMBL283945 | N-(2-Amino-4-methyl-pyrimidin-5-ylm...)
Show SMILES Cc1nc(N)ncc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Show InChI InChI=1S/C21H24N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,11,26H,10,12-13H2,1-2H3,(H,23,28)(H2,22,24,25)
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85n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111741
PNG
(CHEMBL19666 | N-(5-Carbamimidoyl-thiophen-2-ylmeth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(s1)C(N)=N
Show InChI InChI=1S/C21H23N5O4S2/c1-14-7-9-17(25-32(29,30)13-15-5-3-2-4-6-15)21(28)26(14)12-19(27)24-11-16-8-10-18(31-16)20(22)23/h2-10,25H,11-13H2,1H3,(H3,22,23)(H,24,27)
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96n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against factor Xa (FXa) was tested


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111715
PNG
(CHEMBL19700 | N-(2-Amino-4-methyl-pyrimidin-5-ylme...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2cccc3OCCOc23)c(=O)n1CC(=O)NCc1cnc(N)nc1C
Show InChI InChI=1S/C23H26N6O6S/c1-14-6-7-18(28-36(32,33)13-16-4-3-5-19-21(16)35-9-8-34-19)22(31)29(14)12-20(30)25-10-17-11-26-23(24)27-15(17)2/h3-7,11,28H,8-10,12-13H2,1-2H3,(H,25,30)(H2,24,26,27)
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103n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111719
PNG
(CHEMBL19037 | N-(4-Aminomethyl-thiazol-2-ylmethyl)...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1nc(CN)cs1
Show InChI InChI=1S/C20H23N5O4S2/c1-14-7-8-17(24-31(28,29)13-15-5-3-2-4-6-15)20(27)25(14)11-18(26)22-10-19-23-16(9-21)12-30-19/h2-8,12,24H,9-11,13,21H2,1H3,(H,22,26)
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136n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111735
PNG
(CHEMBL19527 | N-(2-Amino-4-methyl-pyrimidin-5-ylme...)
Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)nc1C
Show InChI InChI=1S/C21H23F2N7O2/c1-13-8-26-18(28-12-21(22,23)16-6-4-3-5-7-16)19(32)30(13)11-17(31)25-9-15-10-27-20(24)29-14(15)2/h3-8,10H,9,11-12H2,1-2H3,(H,25,31)(H,26,28)(H2,24,27,29)
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141n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111732
PNG
(CHEMBL19453 | N-(4-Carbamimidoyl-benzyl)-2-[3-(3-m...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C22H23N5O5S/c1-32-17-4-2-5-18(12-17)33(30,31)26-19-6-3-11-27(22(19)29)14-20(28)25-13-15-7-9-16(10-8-15)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28)
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153n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against factor Xa (FXa) was tested


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111734
PNG
(CHEMBL19241 | N-(5-Amino-pyrazin-2-ylmethyl)-2-(6-...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1
Show InChI InChI=1S/C20H22N6O4S/c1-14-7-8-17(25-31(29,30)13-15-5-3-2-4-6-15)20(28)26(14)12-19(27)24-10-16-9-23-18(21)11-22-16/h2-9,11,25H,10,12-13H2,1H3,(H2,21,23)(H,24,27)
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158n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
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