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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'hikita' 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 IX


(Rattus norvegicus)
BDBM50240469
PNG
(CHEMBL4096341)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat coagulation factor 9a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240469
PNG
(CHEMBL4096341)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240487
PNG
(CHEMBL4066380 | US9969724, Example 32)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ncccc12 |r|
Show InChI InChI=1S/C23H18Cl2N8O2/c24-15-8-13(33-11-29-21-17(33)2-1-6-27-21)3-4-14(15)23(34)30-12-5-7-32(10-12)22-19-18(16(25)9-28-22)20(26)31-35-19/h1-4,6,8-9,11-12H,5,7,10H2,(H2,26,31)(H,30,34)/t12-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240470
PNG
(CHEMBL4092982 | US9969724, Example 27)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc(CCO)c1 |r|
Show InChI InChI=1S/C22H21Cl2N7O3/c23-16-7-14(31-9-12(4-6-32)27-11-31)1-2-15(16)22(33)28-13-3-5-30(10-13)21-19-18(17(24)8-26-21)20(25)29-34-19/h1-2,7-9,11,13,32H,3-6,10H2,(H2,25,29)(H,28,33)/t13-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240471
PNG
(CHEMBL4069082 | US9969724, Example 45)
Show SMILES Cn1ncn(-c2ccc(C(=O)N[C@@H]3CCN(C3)c3ncc(Cl)c4c(N)noc34)c(Cl)c2)c1=O |r|
Show InChI InChI=1S/C20H18Cl2N8O3/c1-28-20(32)30(9-25-28)11-2-3-12(13(21)6-11)19(31)26-10-4-5-29(8-10)18-16-15(14(22)7-24-18)17(23)27-33-16/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,23,27)(H,26,31)/t10-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240473
PNG
(CHEMBL4095415)
Show SMILES Cn1cc(ccc1=O)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |r|
Show InChI InChI=1S/C23H20Cl2N6O3/c1-30-10-13(3-5-18(30)32)12-2-4-15(16(24)8-12)23(33)28-14-6-7-31(11-14)22-20-19(17(25)9-27-22)21(26)29-34-20/h2-5,8-10,14H,6-7,11H2,1H3,(H2,26,29)(H,28,33)/t14-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240472
PNG
(CHEMBL4090664)
Show SMILES Nc1noc2c(cc(Cl)cc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C20H17Cl2N7O2/c21-11-5-15-18(31-27-19(15)23)17(6-11)28-4-3-12(8-28)26-20(30)14-2-1-13(7-16(14)22)29-9-24-25-10-29/h1-2,5-7,9-10,12H,3-4,8H2,(H2,23,27)(H,26,30)
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n/an/a 18n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240489
PNG
(CHEMBL4101793 | US9969724, Example 20)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1cncnc1 |r|
Show InChI InChI=1S/C21H17Cl2N7O2/c22-15-5-11(12-6-25-10-26-7-12)1-2-14(15)21(31)28-13-3-4-30(9-13)20-18-17(16(23)8-27-20)19(24)29-32-18/h1-2,5-8,10,13H,3-4,9H2,(H2,24,29)(H,28,31)/t13-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240474
PNG
(CHEMBL4082857)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C19H16Cl2N8O2/c20-13-5-11(29-8-24-25-9-29)1-2-12(13)19(30)26-10-3-4-28(7-10)18-16-15(14(21)6-23-18)17(22)27-31-16/h1-2,5-6,8-10H,3-4,7H2,(H2,22,27)(H,26,30)/t10-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240475
PNG
(CHEMBL4080361 | US9969724, Example 9)
Show SMILES Nc1noc2c(ccc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C20H17Cl2N7O2/c21-14-3-4-16(18-17(14)19(23)27-31-18)28-6-5-11(8-28)26-20(30)13-2-1-12(7-15(13)22)29-9-24-25-10-29/h1-4,7,9-11H,5-6,8H2,(H2,23,27)(H,26,30)/t11-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240476
PNG
(CHEMBL4087720 | US9969724, Example 29)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ccccc12 |r|
Show InChI InChI=1S/C24H19Cl2N7O2/c25-16-9-14(33-12-29-18-3-1-2-4-19(18)33)5-6-15(16)24(34)30-13-7-8-32(11-13)23-21-20(17(26)10-28-23)22(27)31-35-21/h1-6,9-10,12-13H,7-8,11H2,(H2,27,31)(H,30,34)/t13-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240491
PNG
(CHEMBL4065316 | US9969724, Example 11)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18Cl2N8O2/c1-10-25-9-30(27-10)12-2-3-13(14(21)6-12)20(31)26-11-4-5-29(8-11)19-17-16(15(22)7-24-19)18(23)28-32-17/h2-3,6-7,9,11H,4-5,8H2,1H3,(H2,23,28)(H,26,31)/t11-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240477
PNG
(CHEMBL4074983 | US9969724, Example 44)
Show SMILES Cn1cc(cnc1=O)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |r|
Show InChI InChI=1S/C22H19Cl2N7O3/c1-30-9-12(7-27-22(30)33)11-2-3-14(15(23)6-11)21(32)28-13-4-5-31(10-13)20-18-17(16(24)8-26-20)19(25)29-34-18/h2-3,6-9,13H,4-5,10H2,1H3,(H2,25,29)(H,28,32)/t13-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240478
PNG
(CHEMBL4083789)
Show SMILES Cc1cc2c(N)noc2c(n1)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C20H19ClN8O2/c1-11-6-15-17(31-27-18(15)22)19(25-11)28-5-4-12(8-28)26-20(30)14-3-2-13(7-16(14)21)29-9-23-24-10-29/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H2,22,27)(H,26,30)/t12-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240493
PNG
(CHEMBL4085239 | US9969724, Example 28)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1C(F)F |r|
Show InChI InChI=1S/C20H16Cl2F2N8O2/c21-12-5-10(32-8-27-29-19(32)16(23)24)1-2-11(12)20(33)28-9-3-4-31(7-9)18-15-14(13(22)6-26-18)17(25)30-34-15/h1-2,5-6,8-9,16H,3-4,7H2,(H2,25,30)(H,28,33)/t9-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240479
PNG
(CHEMBL4072364 | US9969724, Example 14)
Show SMILES Nc1noc2c(cc(Cl)c(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C20H16Cl3N7O2/c21-13-5-11(30-8-25-26-9-30)1-2-12(13)20(31)27-10-3-4-29(7-10)15-6-14(22)17(23)16-18(15)32-28-19(16)24/h1-2,5-6,8-10H,3-4,7H2,(H2,24,28)(H,27,31)/t10-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240482
PNG
(CHEMBL4069648)
Show SMILES Cc1cc(N2CCC(C2)NC(=O)c2ccc(cc2Cl)-n2cnnc2)c2onc(N)c2c1
Show InChI InChI=1S/C21H20ClN7O2/c1-12-6-16-19(31-27-20(16)23)18(7-12)28-5-4-13(9-28)26-21(30)15-3-2-14(8-17(15)22)29-10-24-25-11-29/h2-3,6-8,10-11,13H,4-5,9H2,1H3,(H2,23,27)(H,26,30)
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n/an/a 50n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240483
PNG
(CHEMBL4099310 | US9969724, Example 12)
Show SMILES Cc1cc(N2CC[C@H](C2)NC(=O)c2ccc(cc2Cl)-n2cnnc2)c2onc(N)c2c1Cl |r|
Show InChI InChI=1S/C21H19Cl2N7O2/c1-11-6-16(19-17(18(11)23)20(24)28-32-19)29-5-4-12(8-29)27-21(31)14-3-2-13(7-15(14)22)30-9-25-26-10-30/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H2,24,28)(H,27,31)/t12-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240488
PNG
(CHEMBL4060976 | US9969724, Example 5)
Show SMILES Nc1noc2c(nccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C19H17ClN8O2/c20-15-7-12(28-9-23-24-10-28)1-2-13(15)19(29)25-11-4-6-27(8-11)18-16-14(3-5-22-18)17(21)26-30-16/h1-3,5,7,9-11H,4,6,8H2,(H2,21,26)(H,25,29)
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n/an/a 89n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240484
PNG
(CHEMBL4085322 | US9969724, Example 1)
Show SMILES Nc1noc2c(cccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C20H18ClN7O2/c21-16-8-13(28-10-23-24-11-28)4-5-14(16)20(29)25-12-6-7-27(9-12)17-3-1-2-15-18(17)30-26-19(15)22/h1-5,8,10-12H,6-7,9H2,(H2,22,26)(H,25,29)
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n/an/a 98n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240486
PNG
(CHEMBL4098387 | US9969724, Example 13)
Show SMILES Nc1noc2c(ccc(F)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C20H17ClFN7O2/c21-14-7-12(29-9-24-25-10-29)1-2-13(14)20(30)26-11-5-6-28(8-11)16-4-3-15(22)17-18(16)31-27-19(17)23/h1-4,7,9-11H,5-6,8H2,(H2,23,27)(H,26,30)/t11-/m1/s1
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n/an/a 172n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240492
PNG
(CHEMBL4071351)
Show SMILES Cc1ccc(N2CCC(C)(C2)NC(=O)c2ccc(cc2Cl)-n2cnnc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H21ClN6O3/c1-14-3-6-18(19(9-14)28(30)31)26-8-7-21(2,11-26)25-20(29)16-5-4-15(10-17(16)22)27-12-23-24-13-27/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,25,29)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240490
PNG
(CHEMBL4103170)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ncccn1 |r|
Show InChI InChI=1S/C21H17Cl2N7O2/c22-14-8-11(19-25-5-1-6-26-19)2-3-13(14)21(31)28-12-4-7-30(10-12)20-17-16(15(23)9-27-20)18(24)29-32-17/h1-3,5-6,8-9,12H,4,7,10H2,(H2,24,29)(H,28,31)/t12-/m1/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50240469
PNG
(CHEMBL4096341)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Whole-cell voltage clamp electrophysiology method


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50240469
PNG
(CHEMBL4096341)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in liver microsomes (unknown origin) assessed as formation of acetaminophen from phenacetin in presence of NADPH by LC-MS/MS ana...


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50240469
PNG
(CHEMBL4096341)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in liver microsomes (unknown origin) assessed as formation of 4-hydroxydiclofenac from diclofenac in presence of NADPH by LC-MS/...


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50240469
PNG
(CHEMBL4096341)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in liver microsomes (unknown origin) assessed as formation of 4-hydroxymephenytoin from S-mephenytoin in presence of NADPH by L...


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50240469
PNG
(CHEMBL4096341)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in liver microsomes (unknown origin) assessed as formation of 1-hydroxybufuralol from bufuralol in presence of NADPH by LC-MS/MS...


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50240469
PNG
(CHEMBL4096341)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in liver microsomes (unknown origin) assessed as formation of 1-hydroxymidazolam from midazolam in presence of NADPH by LC-MS/MS...


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240473
PNG
(CHEMBL4095415)
Show SMILES Cn1cc(ccc1=O)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |r|
Show InChI InChI=1S/C23H20Cl2N6O3/c1-30-10-13(3-5-18(30)32)12-2-4-15(16(24)8-12)23(33)28-14-6-7-31(11-14)22-20-19(17(25)9-27-22)21(26)29-34-20/h2-5,8-10,14H,6-7,11H2,1H3,(H2,26,29)(H,28,33)/t14-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240483
PNG
(CHEMBL4099310 | US9969724, Example 12)
Show SMILES Cc1cc(N2CC[C@H](C2)NC(=O)c2ccc(cc2Cl)-n2cnnc2)c2onc(N)c2c1Cl |r|
Show InChI InChI=1S/C21H19Cl2N7O2/c1-11-6-16(19-17(18(11)23)20(24)28-32-19)29-5-4-12(8-29)27-21(31)14-3-2-13(7-15(14)22)30-9-25-26-10-30/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H2,24,28)(H,27,31)/t12-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human renal renin at pH 6.5


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240487
PNG
(CHEMBL4066380 | US9969724, Example 32)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ncccc12 |r|
Show InChI InChI=1S/C23H18Cl2N8O2/c24-15-8-13(33-11-29-21-17(33)2-1-6-27-21)3-4-14(15)23(34)30-12-5-7-32(10-12)22-19-18(16(25)9-28-22)20(26)31-35-19/h1-4,6,8-9,11-12H,5,7,10H2,(H2,26,31)(H,30,34)/t12-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240477
PNG
(CHEMBL4074983 | US9969724, Example 44)
Show SMILES Cn1cc(cnc1=O)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |r|
Show InChI InChI=1S/C22H19Cl2N7O3/c1-30-9-12(7-27-22(30)33)11-2-3-14(15(23)6-11)21(32)28-13-4-5-31(10-13)20-18-17(16(24)8-26-20)19(25)29-34-18/h2-3,6-9,13H,4-5,10H2,1H3,(H2,25,29)(H,28,32)/t13-/m1/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240479
PNG
(CHEMBL4072364 | US9969724, Example 14)
Show SMILES Nc1noc2c(cc(Cl)c(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C20H16Cl3N7O2/c21-13-5-11(30-8-25-26-9-30)1-2-12(13)20(31)27-10-3-4-29(7-10)15-6-14(22)17(23)16-18(15)32-28-19(16)24/h1-2,5-6,8-10H,3-4,7H2,(H2,24,28)(H,27,31)/t10-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240475
PNG
(CHEMBL4080361 | US9969724, Example 9)
Show SMILES Nc1noc2c(ccc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C20H17Cl2N7O2/c21-14-3-4-16(18-17(14)19(23)27-31-18)28-6-5-11(8-28)26-20(30)13-2-1-12(7-15(13)22)29-9-24-25-10-29/h1-4,7,9-11H,5-6,8H2,(H2,23,27)(H,26,30)/t11-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240469
PNG
(CHEMBL4096341)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Show InChI InChI=1S/C22H19Cl2N7O2/c1-11-26-10-31(29-11)13-3-4-14(16(23)6-13)22(32)28-19-12-2-5-18(19)30(9-12)21-20-15(7-27-33-20)17(24)8-25-21/h3-4,6-8,10,12,18-19H,2,5,9H2,1H3,(H,28,32)/t12-,18+,19-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240474
PNG
(CHEMBL4082857)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C19H16Cl2N8O2/c20-13-5-11(29-8-24-25-9-29)1-2-12(13)19(30)26-10-3-4-28(7-10)18-16-15(14(21)6-23-18)17(22)27-31-16/h1-2,5-6,8-10H,3-4,7H2,(H2,22,27)(H,26,30)/t10-/m1/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240476
PNG
(CHEMBL4087720 | US9969724, Example 29)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ccccc12 |r|
Show InChI InChI=1S/C24H19Cl2N7O2/c25-16-9-14(33-12-29-18-3-1-2-4-19(18)33)5-6-15(16)24(34)30-13-7-8-32(11-13)23-21-20(17(26)10-28-23)22(27)31-35-21/h1-6,9-10,12-13H,7-8,11H2,(H2,27,31)(H,30,34)/t13-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240492
PNG
(CHEMBL4071351)
Show SMILES Cc1ccc(N2CCC(C)(C2)NC(=O)c2ccc(cc2Cl)-n2cnnc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H21ClN6O3/c1-14-3-6-18(19(9-14)28(30)31)26-8-7-21(2,11-26)25-20(29)16-5-4-15(10-17(16)22)27-12-23-24-13-27/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,25,29)
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240491
PNG
(CHEMBL4065316 | US9969724, Example 11)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18Cl2N8O2/c1-10-25-9-30(27-10)12-2-3-13(14(21)6-12)20(31)26-11-4-5-29(8-11)19-17-16(15(22)7-24-19)18(23)28-32-17/h2-3,6-7,9,11H,4-5,8H2,1H3,(H2,23,28)(H,26,31)/t11-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240490
PNG
(CHEMBL4103170)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1ncccn1 |r|
Show InChI InChI=1S/C21H17Cl2N7O2/c22-14-8-11(19-25-5-1-6-26-19)2-3-13(14)21(31)28-12-4-7-30(10-12)20-17-16(15(23)9-27-20)18(24)29-32-17/h1-3,5-6,8-9,12H,4,7,10H2,(H2,24,29)(H,28,31)/t12-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240489
PNG
(CHEMBL4101793 | US9969724, Example 20)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-c1cncnc1 |r|
Show InChI InChI=1S/C21H17Cl2N7O2/c22-15-5-11(12-6-25-10-26-7-12)1-2-14(15)21(31)28-13-3-4-30(9-13)20-18-17(16(23)8-27-20)19(24)29-32-18/h1-2,5-8,10,13H,3-4,9H2,(H2,24,29)(H,28,31)/t13-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240488
PNG
(CHEMBL4060976 | US9969724, Example 5)
Show SMILES Nc1noc2c(nccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C19H17ClN8O2/c20-15-7-12(28-9-23-24-10-28)1-2-13(15)19(29)25-11-4-6-27(8-11)18-16-14(3-5-22-18)17(21)26-30-16/h1-3,5,7,9-11H,4,6,8H2,(H2,21,26)(H,25,29)
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240486
PNG
(CHEMBL4098387 | US9969724, Example 13)
Show SMILES Nc1noc2c(ccc(F)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C20H17ClFN7O2/c21-14-7-12(29-9-24-25-10-29)1-2-13(14)20(30)26-11-5-6-28(8-11)16-4-3-15(22)17-18(16)31-27-19(17)23/h1-4,7,9-11H,5-6,8H2,(H2,23,27)(H,26,30)/t11-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240472
PNG
(CHEMBL4090664)
Show SMILES Nc1noc2c(cc(Cl)cc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C20H17Cl2N7O2/c21-11-5-15-18(31-27-19(15)23)17(6-11)28-4-3-12(8-28)26-20(30)14-2-1-13(7-16(14)22)29-9-24-25-10-29/h1-2,5-7,9-10,12H,3-4,8H2,(H2,23,27)(H,26,30)
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240484
PNG
(CHEMBL4085322 | US9969724, Example 1)
Show SMILES Nc1noc2c(cccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C20H18ClN7O2/c21-16-8-13(28-10-23-24-11-28)4-5-14(16)20(29)25-12-6-7-27(9-12)17-3-1-2-15-18(17)30-26-19(15)22/h1-5,8,10-12H,6-7,9H2,(H2,22,26)(H,25,29)
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240482
PNG
(CHEMBL4069648)
Show SMILES Cc1cc(N2CCC(C2)NC(=O)c2ccc(cc2Cl)-n2cnnc2)c2onc(N)c2c1
Show InChI InChI=1S/C21H20ClN7O2/c1-12-6-16-19(31-27-20(16)23)18(7-12)28-5-4-13(9-28)26-21(30)15-3-2-14(8-17(15)22)29-10-24-25-11-29/h2-3,6-8,10-11,13H,4-5,9H2,1H3,(H2,23,27)(H,26,30)
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240478
PNG
(CHEMBL4083789)
Show SMILES Cc1cc2c(N)noc2c(n1)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1 |r|
Show InChI InChI=1S/C20H19ClN8O2/c1-11-6-15-17(31-27-18(15)22)19(25-11)28-5-4-12(8-28)26-20(30)14-3-2-13(7-16(14)21)29-9-23-24-10-29/h2-3,6-7,9-10,12H,4-5,8H2,1H3,(H2,22,27)(H,26,30)/t12-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240493
PNG
(CHEMBL4085239 | US9969724, Example 28)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1C(F)F |r|
Show InChI InChI=1S/C20H16Cl2F2N8O2/c21-12-5-10(32-8-27-29-19(32)16(23)24)1-2-11(12)20(33)28-9-3-4-31(7-9)18-15-14(13(22)6-26-18)17(25)30-34-15/h1-2,5-6,8-9,16H,3-4,7H2,(H2,25,30)(H,28,33)/t9-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50240471
PNG
(CHEMBL4069082 | US9969724, Example 45)
Show SMILES Cn1ncn(-c2ccc(C(=O)N[C@@H]3CCN(C3)c3ncc(Cl)c4c(N)noc34)c(Cl)c2)c1=O |r|
Show InChI InChI=1S/C20H18Cl2N8O3/c1-28-20(32)30(9-25-28)11-2-3-12(13(21)6-11)19(31)26-10-4-5-29(8-10)18-16-15(14(22)7-24-18)17(23)27-33-16/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,23,27)(H,26,31)/t10-/m1/s1
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Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
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