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Compile Data Set for Download or QSAR

Found 1505 hits with Last Name = 'illig' and Initial = 'cr'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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1.30n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083968
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1 |w:8.8|
Show InChI InChI=1S/C18H19F3N4O4S/c1-12-9-13(28-8-4-7-24-25-17(22)23)11-14(10-12)29-30(26,27)16-6-3-2-5-15(16)18(19,20)21/h2-3,5-7,9-11H,4,8H2,1H3,(H4,22,23,25)
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4.40n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070597
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)
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4.60n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070597
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13H2,1H3,(H3,22,23)
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4.60n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate


Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083963
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3cccnc23)c1 |w:8.8|
Show InChI InChI=1S/C20H21N5O4S/c1-14-11-16(28-10-4-9-24-25-20(21)22)13-17(12-14)29-30(26,27)18-7-2-5-15-6-3-8-23-19(15)18/h2-3,5-9,11-13H,4,10H2,1H3,(H4,21,22,25)
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4.70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083971
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCCC=NNC(N)=N)c1 |w:21.22|
Show InChI InChI=1S/C18H22N4O4S/c1-13-5-3-6-17(11-13)27(23,24)26-16-10-14(2)9-15(12-16)25-8-4-7-21-22-18(19)20/h3,5-7,9-12H,4,8H2,1-2H3,(H4,19,20,22)
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6n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083969
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |w:8.8|
Show InChI InChI=1S/C17H19ClN4O4S/c1-12-9-13(25-8-4-7-21-22-17(19)20)11-14(10-12)26-27(23,24)16-6-3-2-5-15(16)18/h2-3,5-7,9-11H,4,8H2,1H3,(H4,19,20,22)
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8.30n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083967
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C#N)c1 |w:8.8|
Show InChI InChI=1S/C18H19N5O4S/c1-13-9-15(26-8-4-7-22-23-18(20)21)11-16(10-13)27-28(24,25)17-6-3-2-5-14(17)12-19/h2-3,5-7,9-11H,4,8H2,1H3,(H4,20,21,23)
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9.10n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083966
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccc(Cl)s2)c1 |w:8.8|
Show InChI InChI=1S/C15H17ClN4O4S2/c1-10-7-11(23-6-2-5-19-20-15(17)18)9-12(8-10)24-26(21,22)14-4-3-13(16)25-14/h3-5,7-9H,2,6H2,1H3,(H4,17,18,20)
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9.20n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083961
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 |w:8.8|
Show InChI InChI=1S/C17H18Cl2N4O4S/c1-11-8-12(26-7-3-6-22-23-17(20)21)10-13(9-11)27-28(24,25)15-5-2-4-14(18)16(15)19/h2,4-6,8-10H,3,7H2,1H3,(H4,20,21,23)
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9.40n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083964
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCC=NNC(N)=N)c1 |w:22.23|
Show InChI InChI=1S/C18H22N4O5S/c1-13-10-14(26-9-5-8-21-22-18(19)20)12-15(11-13)27-28(23,24)17-7-4-3-6-16(17)25-2/h3-4,6-8,10-12H,5,9H2,1-2H3,(H4,19,20,22)
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11n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083957
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c1 |w:8.8|
Show InChI InChI=1S/C18H19F3N4O5S/c1-12-9-13(28-8-4-7-24-25-17(22)23)11-14(10-12)30-31(26,27)16-6-3-2-5-15(16)29-18(19,20)21/h2-3,5-7,9-11H,4,8H2,1H3,(H4,22,23,25)
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11n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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11n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate


Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070599
PNG
(2-Chloro-benzenesulfonic acid 3-(4-guanidino-butox...)
Show SMILES Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-10-14(25-9-5-4-8-22-18(20)21)12-15(11-13)26-27(23,24)17-7-3-2-6-16(17)19/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H4,20,21,22)
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13n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate


Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084068
PNG
(2-Trifluoromethyl-benzenesulfonic acid 3-(1-carbam...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C21H24F3N3O4S/c1-14-10-16(30-13-15-6-8-27(9-7-15)20(25)26)12-17(11-14)31-32(28,29)19-5-3-2-4-18(19)21(22,23)24/h2-5,10-12,15H,6-9,13H2,1H3,(H3,25,26)
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14n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084080
PNG
(2-Nitro-benzenesulfonic acid 3-(1-carbamimidoyl-pi...)
Show SMILES Cc1cc(OCC2CC[N+](CC2)=C(N)[NH-])cc(OS(=O)(=O)c2ccccc2[N+]([O-])=O)c1 |(5.12,-3.95,;5.58,-5.42,;7.08,-5.77,;7.52,-7.26,;9.03,-7.59,;10.08,-6.49,;11.58,-6.84,;12.02,-8.31,;13.51,-8.66,;14.57,-7.56,;14.12,-6.07,;12.63,-5.72,;16.06,-7.92,;17.13,-6.8,;16.5,-9.39,;6.47,-8.38,;4.98,-8.01,;3.92,-9.13,;2.43,-8.78,;1.08,-8.01,;3.18,-7.45,;1.36,-9.9,;-.13,-9.55,;-1.18,-10.67,;-.75,-12.16,;.75,-12.51,;1.8,-11.39,;3.31,-11.74,;3.74,-13.21,;4.37,-10.62,;4.53,-6.56,)|
Show InChI InChI=1S/C20H24N4O6S/c1-14-10-16(29-13-15-6-8-23(9-7-15)20(21)22)12-17(11-14)30-31(27,28)19-5-3-2-4-18(19)24(25)26/h2-5,10-12,15H,6-9,13H2,1H3,(H3,21,22)
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16n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083972
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 |w:8.8|
Show InChI InChI=1S/C18H22N4O6S2/c1-13-10-14(27-9-5-8-21-22-18(19)20)12-15(11-13)28-30(25,26)17-7-4-3-6-16(17)29(2,23)24/h3-4,6-8,10-12H,5,9H2,1-2H3,(H4,19,20,22)
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20n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084078
PNG
(2,3-Dichloro-benzenesulfonic acid 3-(1-carbamimido...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C20H23Cl2N3O4S/c1-13-9-15(28-12-14-5-7-25(8-6-14)20(23)24)11-16(10-13)29-30(26,27)18-4-2-3-17(21)19(18)22/h2-4,9-11,14H,5-8,12H2,1H3,(H3,23,24)
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22n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50064653
PNG
(2-Chloro-benzenesulfonic acid 3-methyl-5-[2-(methy...)
Show SMILES CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1
Show InChI InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3
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24n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of thrombin


J Med Chem 41: 2068-75 (1998)


Article DOI: 10.1021/jm970796l
BindingDB Entry DOI: 10.7270/Q269748G
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084070
PNG
(2-[3-(1-Carbamimidoyl-piperidin-4-ylmethoxy)-5-met...)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC2CCN(CC2)C(N)=N)c1
Show InChI InChI=1S/C22H27N3O6S/c1-15-11-17(30-14-16-7-9-25(10-8-16)22(23)24)13-18(12-15)31-32(27,28)20-6-4-3-5-19(20)21(26)29-2/h3-6,11-13,16H,7-10,14H2,1-2H3,(H3,23,24)
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28n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084074
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES NC(=N)N1CCC(COc2cc(Cl)cc(OS(=O)(=O)c3ccccc3Cl)c2)CC1
Show InChI InChI=1S/C19H21Cl2N3O4S/c20-14-9-15(27-12-13-5-7-24(8-6-13)19(22)23)11-16(10-14)28-29(25,26)18-4-2-1-3-17(18)21/h1-4,9-11,13H,5-8,12H2,(H3,22,23)
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30n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084077
PNG
(3-Amino-benzenesulfonic acid 3-(1-carbamimidoyl-pi...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C20H26N4O4S/c1-14-9-17(27-13-15-5-7-24(8-6-15)20(22)23)12-18(10-14)28-29(25,26)19-4-2-3-16(21)11-19/h2-4,9-12,15H,5-8,13,21H2,1H3,(H3,22,23)
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32n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084069
PNG
(Benzenesulfonic acid 3-(1-carbamimidoyl-piperidin-...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H25N3O4S/c1-15-11-17(26-14-16-7-9-23(10-8-16)20(21)22)13-18(12-15)27-28(24,25)19-5-3-2-4-6-19/h2-6,11-13,16H,7-10,14H2,1H3,(H3,21,22)
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32n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070598
PNG
(2-Chloro-benzenesulfonic acid 3-(3-guanidino-propo...)
Show SMILES Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-9-13(24-8-4-7-21-17(19)20)11-14(10-12)25-26(22,23)16-6-3-2-5-15(16)18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)
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33n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate


Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084079
PNG
(CHEMBL423830 | Naphthalene-1-sulfonic acid 3-(1-ca...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc3ccccc23)c1
Show InChI InChI=1S/C24H27N3O4S/c1-17-13-20(30-16-18-9-11-27(12-10-18)24(25)26)15-21(14-17)31-32(28,29)23-8-4-6-19-5-2-3-7-22(19)23/h2-8,13-15,18H,9-12,16H2,1H3,(H3,25,26)
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35n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084081
PNG
(CHEMBL166437 | Toluene-3-sulfonic acid 3-(1-carbam...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCC2CCN(CC2)C(N)=N)c1
Show InChI InChI=1S/C21H27N3O4S/c1-15-4-3-5-20(12-15)29(25,26)28-19-11-16(2)10-18(13-19)27-14-17-6-8-24(9-7-17)21(22)23/h3-5,10-13,17H,6-9,14H2,1-2H3,(H3,22,23)
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36n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083956
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccnc2)c1 |w:8.8|
Show InChI InChI=1S/C16H19N5O4S/c1-12-8-13(24-7-3-6-20-21-16(17)18)10-14(9-12)25-26(22,23)15-4-2-5-19-11-15/h2,4-6,8-11H,3,7H2,1H3,(H4,17,18,21)
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36n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084075
PNG
(3-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C20H24ClN3O4S/c1-14-9-17(27-13-15-5-7-24(8-6-15)20(22)23)12-18(10-14)28-29(25,26)19-4-2-3-16(21)11-19/h2-4,9-12,15H,5-8,13H2,1H3,(H3,22,23)
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39n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084067
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES CCc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C21H26ClN3O4S/c1-2-15-11-17(28-14-16-7-9-25(10-8-16)21(23)24)13-18(12-15)29-30(26,27)20-6-4-3-5-19(20)22/h3-6,11-13,16H,2,7-10,14H2,1H3,(H3,23,24)
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39n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083960
PNG
((2E)-2-({1-[(3-(2-cyanobenzenesulfonate)-5-methylp...)
Show SMILES Cc1cc(OCC2(CC2)C=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C#N)c1 |w:10.11|
Show InChI InChI=1S/C20H21N5O4S/c1-14-8-16(28-13-20(6-7-20)12-24-25-19(22)23)10-17(9-14)29-30(26,27)18-5-3-2-4-15(18)11-21/h2-5,8-10,12H,6-7,13H2,1H3,(H4,22,23,25)
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40n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083962
PNG
(3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...)
Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2cccc3ccccc23)c1 |w:8.8|
Show InChI InChI=1S/C21H22N4O4S/c1-15-12-17(28-11-5-10-24-25-21(22)23)14-18(13-15)29-30(26,27)20-9-4-7-16-6-2-3-8-19(16)20/h2-4,6-10,12-14H,5,11H2,1H3,(H4,22,23,25)
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44n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory constant against human alpha thrombin


Bioorg Med Chem Lett 10: 1-4 (2000)


BindingDB Entry DOI: 10.7270/Q2HH6J9C
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084085
PNG
(2-Chloro-benzenesulfonic acid 3-(1-carbamimidoyl-p...)
Show SMILES COc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H24ClN3O5S/c1-27-15-10-16(28-13-14-6-8-24(9-7-14)20(22)23)12-17(11-15)29-30(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,14H,6-9,13H2,1H3,(H3,22,23)
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44n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084073
PNG
(2-Amino-benzenesulfonic acid 3-(1-carbamimidoyl-pi...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2N)c1
Show InChI InChI=1S/C20H26N4O4S/c1-14-10-16(27-13-15-6-8-24(9-7-15)20(22)23)12-17(11-14)28-29(25,26)19-5-3-2-4-18(19)21/h2-5,10-12,15H,6-9,13,21H2,1H3,(H3,22,23)
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52n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109377
PNG
(4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl...)
Show SMILES COc1ccc(cc1OC)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C17H17N3O2S3/c1-21-12-5-4-9(6-13(12)22-2)11-8-24-16(20-11)10-7-14(15(18)19)25-17(10)23-3/h4-8H,1-3H3,(H3,18,19)
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58n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098163
PNG
(5-Methylsulfanyl-4-[2-(4-phenoxy-phenylamino)-thia...)
Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1)C(N)=N
Show InChI InChI=1S/C21H18N4OS3/c1-27-20-16(11-18(29-20)19(22)23)17-12-28-21(25-17)24-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-12H,1H3,(H3,22,23)(H,24,25)
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60n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147047
PNG
(5-Methylsulfanyl-4-[4-(1-phenyl-5-propyl-1H-pyrazo...)
Show SMILES CCCc1c(cnn1-c1ccccc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C21H21N5S3/c1-3-7-17-15(11-24-26(17)13-8-5-4-6-9-13)16-12-28-20(25-16)14-10-18(19(22)23)29-21(14)27-2/h4-6,8-12H,3,7H2,1-2H3,(H3,22,23)
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60n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098169
PNG
(5-Methylsulfanyl-4-[2-(4-phenylamino-phenylamino)-...)
Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Nc3ccccc3)cc2)n1)C(N)=N
Show InChI InChI=1S/C21H19N5S3/c1-27-20-16(11-18(29-20)19(22)23)17-12-28-21(26-17)25-15-9-7-14(8-10-15)24-13-5-3-2-4-6-13/h2-12,24H,1H3,(H3,22,23)(H,25,26)
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70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147046
PNG
(5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...)
Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)
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70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070596
PNG
(CHEMBL282549 | N-Methyl-N-{3-[2-(pyridin-4-ylamino...)
Show SMILES CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21N3O3S/c1-23(27(24,25)20-8-3-2-4-9-20)18-6-5-7-19(16-18)26-15-14-22-17-10-12-21-13-11-17/h2-13,16H,14-15H2,1H3,(H,21,22)
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70n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate


Bioorg Med Chem Lett 8: 1595-600 (1999)


BindingDB Entry DOI: 10.7270/Q20864GK
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098144
PNG
(5-Methyl-4-[2-(4-phenoxy-phenylamino)-thiazol-4-yl...)
Show SMILES Cc1sc(cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1)C(N)=N
Show InChI InChI=1S/C21H18N4OS2/c1-13-17(11-19(28-13)20(22)23)18-12-27-21(25-18)24-14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-12H,1H3,(H3,22,23)(H,24,25)
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80n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147059
PNG
(4-[4-(5-Ethoxy-1-phenyl-1H-pyrazol-4-yl)-thiazol-2...)
Show SMILES CCOc1c(cnn1-c1ccccc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N
Show InChI InChI=1S/C20H19N5OS3/c1-3-26-19-14(10-23-25(19)12-7-5-4-6-8-12)15-11-28-18(24-15)13-9-16(17(21)22)29-20(13)27-2/h4-11H,3H2,1-2H3,(H3,21,22)
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90n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099921
PNG
(5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophe...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H3,16,17)
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101n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099900
PNG
(4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfa...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N
Show InChI InChI=1S/C15H12ClN3S3/c1-20-15-10(6-12(22-15)13(17)18)14-19-11(7-21-14)8-2-4-9(16)5-3-8/h2-7H,1H3,(H3,17,18)
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102n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109381
PNG
(5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-car...)
Show SMILES Cc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C15H13N3S2/c1-9-11(7-13(20-9)14(16)17)15-18-12(8-19-15)10-5-3-2-4-6-10/h2-8H,1H3,(H3,16,17)
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103n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098141
PNG
(4-{2-[4-(4-Chloro-phenoxy)-phenylamino]-thiazol-4-...)
Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1)C(N)=N
Show InChI InChI=1S/C21H17ClN4OS3/c1-28-20-16(10-18(30-20)19(23)24)17-11-29-21(26-17)25-13-4-8-15(9-5-13)27-14-6-2-12(22)3-7-14/h2-11H,1H3,(H3,23,24)(H,25,26)
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110n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098127
PNG
(4-[2-(4-Cyclohexyl-phenylamino)-thiazol-4-yl]-5-me...)
Show SMILES CSc1sc(cc1-c1csc(Nc2ccc(cc2)C2CCCCC2)n1)C(N)=N
Show InChI InChI=1S/C21H24N4S3/c1-26-20-16(11-18(28-20)19(22)23)17-12-27-21(25-17)24-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H3,22,23)(H,24,25)
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110n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50084082
PNG
(3-Nitro-benzenesulfonic acid 3-(1-carbamimidoyl-pi...)
Show SMILES Cc1cc(OCC2CC[N+](CC2)=C(N)[NH-])cc(OS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1 |(4.5,-3.85,;4.95,-5.32,;6.46,-5.67,;6.9,-7.14,;8.4,-7.49,;9.45,-6.37,;10.94,-6.72,;11.39,-8.21,;12.88,-8.56,;13.93,-7.45,;13.5,-5.97,;11.99,-5.6,;15.44,-7.8,;16.49,-6.68,;15.86,-9.28,;5.84,-8.26,;4.34,-7.9,;3.3,-9.02,;1.8,-8.67,;2.56,-7.33,;.47,-7.9,;.75,-9.79,;-.76,-9.44,;-1.81,-10.56,;-1.37,-12.04,;.12,-12.39,;1.19,-11.27,;.57,-13.87,;-.48,-14.99,;2.08,-14.23,;3.9,-6.44,)|
Show InChI InChI=1S/C20H24N4O6S/c1-14-9-17(29-13-15-5-7-23(8-6-15)20(21)22)12-18(10-14)30-31(27,28)19-4-2-3-16(11-19)24(25)26/h2-4,9-12,15H,5-8,13H2,1H3,(H3,21,22)
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115n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay


Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50109378
PNG
(5-Ethyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carb...)
Show SMILES CCc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C16H15N3S2/c1-2-13-11(8-14(21-13)15(17)18)16-19-12(9-20-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H3,17,18)
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138n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human kidney cell urokinase


Bioorg Med Chem Lett 12: 491-5 (2002)


BindingDB Entry DOI: 10.7270/Q2H994H5
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM50147054
PNG
(5-Methylsulfanyl-4-[4-(1-phenyl-1H-pyrazol-4-yl)-t...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cnn(c1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C18H15N5S3/c1-24-18-13(7-15(26-18)16(19)20)17-22-14(10-25-17)11-8-21-23(9-11)12-5-3-2-4-6-12/h2-10H,1H3,(H3,19,20)
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150n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50098139
PNG
(5-Methylsulfanyl-4-[2-(3,4,5-trimethoxy-phenylamin...)
Show SMILES COc1cc(Nc2nc(cs2)-c2cc(sc2SC)C(N)=N)cc(OC)c1OC
Show InChI InChI=1S/C18H20N4O3S3/c1-23-12-5-9(6-13(24-2)15(12)25-3)21-18-22-11(8-27-18)10-7-14(16(19)20)28-17(10)26-4/h5-8H,1-4H3,(H3,19,20)(H,21,22)
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160n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 915-8 (2001)


BindingDB Entry DOI: 10.7270/Q2J67G5B
More data for this
Ligand-Target Pair
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