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Compile Data Set for Download or QSAR

Found 231 hits with Last Name = 'misawa' and Initial = 'k'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273137
PNG
((3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethy...)
Show SMILES CC(=N)N1CCC(CC1)c1ccc(NC(=O)CN(Cc2cccc(OCC(O)=O)c2)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C31H36N6O4/c1-21(32)36-14-12-24(13-15-36)23-8-10-26(11-9-23)35-29(38)19-37(27-6-3-5-25(17-27)31(33)34)18-22-4-2-7-28(16-22)41-20-30(39)40/h2-11,16-17,24,32H,12-15,18-20H2,1H3,(H3,33,34)(H,35,38)(H,39,40)
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1.73n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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1.80n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273136
PNG
(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30)
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5n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273299
PNG
(CHEMBL455933 | {4-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1
Show InChI InChI=1S/C24H26N4O7S2/c1-36(32,33)21-5-3-2-4-18(21)16-7-6-15(19(12-16)27-14-23(30)31)10-11-28-37(34,35)22-13-17(24(25)26)8-9-20(22)29/h2-9,12-13,27-29H,10-11,14H2,1H3,(H3,25,26)(H,30,31)
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5.70n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273297
PNG
(CHEMBL459136 | N-{2-[2-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NC(=O)C(O)=O)c1
Show InChI InChI=1S/C20H24N4O6S/c1-11(2)13-4-3-12(15(9-13)24-19(26)20(27)28)7-8-23-31(29,30)17-10-14(18(21)22)5-6-16(17)25/h3-6,9-11,23,25H,7-8H2,1-2H3,(H3,21,22)(H,24,26)(H,27,28)
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9.70n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273229
PNG
(CHEMBL455916 | {(5-Carbamimidoyl-2-hydroxy-benzene...)
Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C20H25N3O5S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)29(27,28)18-11-16(20(21)22)7-8-17(18)24/h3-8,11,13,24H,9-10,12H2,1-2H3,(H3,21,22)(H,25,26)
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14n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50074456
PNG
(CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
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14.8n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM85397
PNG
(CRA1000)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14|
Show InChI InChI=1S/C29H35FN4S/c1-6-34(26-13-12-22(15-20(2)3)17-27(26)35-5)29-31-21(4)16-28(32-29)33-14-8-10-24(19-33)23-9-7-11-25(30)18-23/h7,9-13,16-18,20H,6,8,14-15,19H2,1-5H3
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15.7n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM85398
PNG
(CRA1001)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14|
Show InChI InChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3
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18.6n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM85397
PNG
(CRA1000)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14|
Show InChI InChI=1S/C29H35FN4S/c1-6-34(26-13-12-22(15-20(2)3)17-27(26)35-5)29-31-21(4)16-28(32-29)33-14-8-10-24(19-33)23-9-7-11-25(30)18-23/h7,9-13,16-18,20H,6,8,14-15,19H2,1-5H3
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20.6n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM50074456
PNG
(CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
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20.7n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))
BDBM85398
PNG
(CRA1001)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14|
Show InChI InChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3
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22.3n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273188
PNG
(3-[2-(4-tert-Butyl-phenyl)-ethylsulfamoyl]-4-hydro...)
Show SMILES CC(C)(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C19H25N3O3S/c1-19(2,3)15-7-4-13(5-8-15)10-11-22-26(24,25)17-12-14(18(20)21)6-9-16(17)23/h4-9,12,22-23H,10-11H2,1-3H3,(H3,20,21)
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27n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273138
PNG
(4-Hydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O3S/c1-12(2)14-5-3-13(4-6-14)9-10-21-25(23,24)17-11-15(18(19)20)7-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
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29n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM17283
PNG
((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1
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41n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of factor 10a in human plasma


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50273262
PNG
(CHEMBL458067 | {2-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C20H25N3O6S/c1-12(2)14-4-3-13(17(9-14)29-11-19(25)26)7-8-23-30(27,28)18-10-15(20(21)22)5-6-16(18)24/h3-6,9-10,12,23-24H,7-8,11H2,1-2H3,(H3,21,22)(H,25,26)
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51n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273227
PNG
(4-Hydroxy-3-{[2-(4-isopropyl-phenyl)-ethyl]-methyl...)
Show SMILES CC(C)c1ccc(CCN(C)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C19H25N3O3S/c1-13(2)15-6-4-14(5-7-15)10-11-22(3)26(24,25)18-12-16(19(20)21)8-9-17(18)23/h4-9,12-13,23H,10-11H2,1-3H3,(H3,20,21)
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59n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273265
PNG
(CHEMBL457633 | {2-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1
Show InChI InChI=1S/C20H26N4O5S/c1-12(2)14-4-3-13(16(9-14)23-11-19(26)27)7-8-24-30(28,29)18-10-15(20(21)22)5-6-17(18)25/h3-6,9-10,12,23-25H,7-8,11H2,1-2H3,(H3,21,22)(H,26,27)
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62n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273187
PNG
(4-Hydroxy-3-[2-(4-isopropoxy-phenyl)-ethylsulfamoy...)
Show SMILES CC(C)Oc1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O4S/c1-12(2)25-15-6-3-13(4-7-15)9-10-21-26(23,24)17-11-14(18(19)20)5-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
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100n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273136
PNG
(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30)
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500n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273189
PNG
(3-[2-(4-Isopropyl-phenyl)-ethylsulfamoyl]-benzamid...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O2S/c1-13(2)15-8-6-14(7-9-15)10-11-21-24(22,23)17-5-3-4-16(12-17)18(19)20/h3-9,12-13,21H,10-11H2,1-2H3,(H3,19,20)
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2.10E+3n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273190
PNG
(4-Chloro-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl]...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2Cl)C(N)=N)cc1
Show InChI InChI=1S/C18H22ClN3O2S/c1-12(2)14-5-3-13(4-6-14)9-10-22-25(23,24)17-11-15(18(20)21)7-8-16(17)19/h3-8,11-12,22H,9-10H2,1-2H3,(H3,20,21)
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3.00E+3n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273264
PNG
(CHEMBL457632 | ethyl 2-(2-(2-(2-hydroxy-5-(N'-hydr...)
Show SMILES CCOC(=O)COc1cc(ccc1CCNS(=O)(=O)c1cc(ccc1O)C(=N)NO)C(C)C
Show InChI InChI=1S/C22H29N3O7S/c1-4-31-21(27)13-32-19-11-16(14(2)3)6-5-15(19)9-10-24-33(29,30)20-12-17(22(23)25-28)7-8-18(20)26/h5-8,11-12,14,24,26,28H,4,9-10,13H2,1-3H3,(H2,23,25)
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3.50E+3n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273231
PNG
(CHEMBL455919 | ethyl 2-(N-(4-isopropylphenethyl)-2...)
Show SMILES CCOC(=O)CN(CCc1ccc(cc1)C(C)C)S(=O)(=O)c1cc(ccc1O)C(=N)NO
Show InChI InChI=1S/C22H29N3O6S/c1-4-31-21(27)14-25(12-11-16-5-7-17(8-6-16)15(2)3)32(29,30)20-13-18(22(23)24-28)9-10-19(20)26/h5-10,13,15,26,28H,4,11-12,14H2,1-3H3,(H2,23,24)
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3.70E+3n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273230
PNG
(CHEMBL509493 | {[2-Hydroxy-5-(N-hydroxycarbamimido...)
Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(=N)NO)cc1
Show InChI InChI=1S/C20H25N3O6S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)30(28,29)18-11-16(20(21)22-27)7-8-17(18)24/h3-8,11,13,24,27H,9-10,12H2,1-2H3,(H2,21,22)(H,25,26)
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7.00E+3n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273228
PNG
(4,N-Dihydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfa...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(=N)NO)cc1
Show InChI InChI=1S/C18H23N3O4S/c1-12(2)14-5-3-13(4-6-14)9-10-20-26(24,25)17-11-15(18(19)21-23)7-8-16(17)22/h3-8,11-12,20,22-23H,9-10H2,1-2H3,(H2,19,21)
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7.30E+3n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
CRF2 Beta


(RAT)
BDBM50074456
PNG
(CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273263
PNG
(2-(2-(2-(2-hydroxy-5-(N'-hydroxycarbamimidoyl)phen...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(=N)NO)c(OCC(O)=O)c1
Show InChI InChI=1S/C20H25N3O7S/c1-12(2)14-4-3-13(17(9-14)30-11-19(25)26)7-8-22-31(28,29)18-10-15(20(21)23-27)5-6-16(18)24/h3-6,9-10,12,22,24,27H,7-8,11H2,1-2H3,(H2,21,23)(H,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
CRF2 Beta


(RAT)
BDBM85398
PNG
(CRA1001)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1Br |c:14|
Show InChI InChI=1S/C28H32BrFN4/c1-5-34(26-12-11-21(14-19(2)3)16-25(26)29)28-31-20(4)15-27(32-28)33-13-7-9-23(18-33)22-8-6-10-24(30)17-22/h6,8-12,15-17,19H,5,7,13-14,18H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50273187
PNG
(4-Hydroxy-3-[2-(4-isopropoxy-phenyl)-ethylsulfamoy...)
Show SMILES CC(C)Oc1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O4S/c1-12(2)25-15-6-3-13(4-7-15)9-10-21-26(23,24)17-11-14(18(19)20)5-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50273189
PNG
(3-[2-(4-Isopropyl-phenyl)-ethylsulfamoyl]-benzamid...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O2S/c1-13(2)15-8-6-14(7-9-15)10-11-21-24(22,23)17-5-3-4-16(12-17)18(19)20/h3-9,12-13,21H,10-11H2,1-2H3,(H3,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50273138
PNG
(4-Hydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O3S/c1-12(2)14-5-3-13(4-6-14)9-10-21-25(23,24)17-11-15(18(19)20)7-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
CRF2 Beta


(RAT)
BDBM85397
PNG
(CRA1000)
Show SMILES CCN(c1nc(C)cc(n1)N1CCC=C(C1)c1cccc(F)c1)c1ccc(CC(C)C)cc1SC |c:14|
Show InChI InChI=1S/C29H35FN4S/c1-6-34(26-13-12-22(15-20(2)3)17-27(26)35-5)29-31-21(4)16-28(32-29)33-14-8-10-24(19-33)23-9-7-11-25(30)18-23/h7,9-13,16-18,20H,6,8,14-15,19H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
CRF2 Beta


(RAT)
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 926-35 (1999)


BindingDB Entry DOI: 10.7270/Q2GM85VG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50273191
PNG
(3-[2-(4-Isopropyl-phenyl)-ethylsulfamoyl]-4-methox...)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCc1ccc(cc1)C(C)C)C(N)=N
Show InChI InChI=1S/C19H25N3O3S/c1-13(2)15-6-4-14(5-7-15)10-11-22-26(23,24)18-12-16(19(20)21)8-9-17(18)25-3/h4-9,12-13,22H,10-11H2,1-3H3,(H3,20,21)
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1.40E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50273137
PNG
((3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethy...)
Show SMILES CC(=N)N1CCC(CC1)c1ccc(NC(=O)CN(Cc2cccc(OCC(O)=O)c2)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C31H36N6O4/c1-21(32)36-14-12-24(13-15-36)23-8-10-26(11-9-23)35-29(38)19-37(27-6-3-5-25(17-27)31(33)34)18-22-4-2-7-28(16-22)41-20-30(39)40/h2-11,16-17,24,32H,12-15,18-20H2,1H3,(H3,33,34)(H,35,38)(H,39,40)
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2.60E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50273136
PNG
(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30)
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5.78E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17283
PNG
((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354041
PNG
(CHEMBL1829584)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H30N2O5/c31-26(32)17-18-29-27(33)25(30-24(28(34)35)16-13-20-7-3-1-4-8-20)19-21-11-14-23(15-12-21)22-9-5-2-6-10-22/h1-12,14-15,24-25,30H,13,16-19H2,(H,29,33)(H,31,32)(H,34,35)/t24-,25-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354042
PNG
(CHEMBL1829585)
Show SMILES C[C@@H](CNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C29H32N2O5/c1-20(28(33)34)19-30-27(32)26(31-25(29(35)36)17-14-21-8-4-2-5-9-21)18-22-12-15-24(16-13-22)23-10-6-3-7-11-23/h2-13,15-16,20,25-26,31H,14,17-19H2,1H3,(H,30,32)(H,33,34)(H,35,36)/t20-,25-,26-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50081380
PNG
(CHEMBL553962 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C25H37NO2/c1-4-6-8-13-23(26-17-5-2)19-22-14-15-24(27-3)25(20-22)28-18-16-21-11-9-7-10-12-21/h7,9-12,14-15,20,23,26H,4-6,8,13,16-19H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50081366
PNG
(CHEMBL540331 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCNC(CCC(C)C)Cc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C25H37NO2/c1-5-16-26-23(13-11-20(2)3)18-22-12-14-24(27-4)25(19-22)28-17-15-21-9-7-6-8-10-21/h6-10,12,14,19-20,23,26H,5,11,13,15-18H2,1-4H3
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n/an/a 1.80n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50081369
PNG
(CHEMBL128860 | CHEMBL541091 | [1-(4-Methoxy-3-phen...)
Show SMILES CCCCC(Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC
Show InChI InChI=1S/C24H35NO2/c1-4-6-12-22(25-16-5-2)18-21-13-14-23(26-3)24(19-21)27-17-15-20-10-8-7-9-11-20/h7-11,13-14,19,22,25H,4-6,12,15-18H2,1-3H3
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n/an/a 2.10n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50249539
PNG
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)25-18-16(17(22)29)19-23-10-24-28(19)20(27-18)26-15-6-4-3-5-14(15)21/h7-10,14-15,25H,3-6,21H2,1-2H3,(H2,22,29)(H,26,27)/t14-,15+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk expressed in Sf9 cells


Bioorg Med Chem 16: 9247-60 (2008)


Article DOI: 10.1016/j.bmc.2008.09.015
BindingDB Entry DOI: 10.7270/Q2GM887N
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50249539
PNG
(5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethox...)
Show SMILES COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 |r|
Show InChI InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)25-18-16(17(22)29)19-23-10-24-28(19)20(27-18)26-15-6-4-3-5-14(15)21/h7-10,14-15,25H,3-6,21H2,1-2H3,(H2,22,29)(H,26,27)/t14-,15+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Syk


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta2 (unknown origin)


Bioorg Med Chem 16: 7347-57 (2008)


Article DOI: 10.1016/j.bmc.2008.06.017
BindingDB Entry DOI: 10.7270/Q2HQ3ZP6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50081371
PNG
(CHEMBL128799 | [1-(4-Methoxy-3-phenethyloxy-benzyl...)
Show SMILES CCCNC(CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-9-21(24-15-5-2)17-20-12-13-22(25-3)23(18-20)26-16-14-19-10-7-6-8-11-19/h6-8,10-13,18,21,24H,4-5,9,14-17H2,1-3H3
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n/an/a 4.5n/an/an/an/an/an/a



Taisho Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.


J Med Chem 42: 3965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7WQ7
More data for this
Ligand-Target Pair
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