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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'taguchi' 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50402251
PNG
(CHEMBL2204791)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1cnc(o1)C(C)(C)C
Show InChI InChI=1S/C13H17N3O2S/c1-7-10(19-12(15-7)16-8(2)17)9-6-14-11(18-9)13(3,4)5/h6H,1-5H3,(H,15,16,17)
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n/an/a 3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444445
PNG
(CHEMBL3092373)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(CC(C)(C)CO)no1
Show InChI InChI=1S/C13H18N4O3S/c1-7-10(21-12(14-7)15-8(2)19)11-16-9(17-20-11)5-13(3,4)6-18/h18H,5-6H2,1-4H3,(H,14,15,19)
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n/an/a 7.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444447
PNG
(CHEMBL3092365)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(no1)C(C)(C)C
Show InChI InChI=1S/C12H16N4O2S/c1-6-8(19-11(13-6)14-7(2)17)9-15-10(16-18-9)12(3,4)5/h1-5H3,(H,13,14,17)
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n/an/a 14n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444444
PNG
(CHEMBL3092375)
Show SMILES CC(O)C(C)(C)Cc1noc(n1)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C14H20N4O3S/c1-7-11(22-13(15-7)16-9(3)20)12-17-10(18-21-12)6-14(4,5)8(2)19/h8,19H,6H2,1-5H3,(H,15,16,20)
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n/an/a 17n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
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))		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))		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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444446
PNG
(CHEMBL3092367)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(CC(F)(F)F)no1
Show InChI InChI=1S/C10H9F3N4O2S/c1-4-7(20-9(14-4)15-5(2)18)8-16-6(17-19-8)3-10(11,12)13/h3H2,1-2H3,(H,14,15,18)
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n/an/a 28n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444443
PNG
(CHEMBL3092376)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(no1)N1CCCC(O)C1
Show InChI InChI=1S/C13H17N5O3S/c1-7-10(22-13(14-7)15-8(2)19)11-16-12(17-21-11)18-5-3-4-9(20)6-18/h9,20H,3-6H2,1-2H3,(H,14,15,19)
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n/an/a 29n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
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))		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))		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))		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 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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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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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444453
PNG
(CHEMBL3092369)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(no1)C(C)(C)CO
Show InChI InChI=1S/C12H16N4O3S/c1-6-8(20-11(13-6)14-7(2)18)9-15-10(16-19-9)12(3,4)5-17/h17H,5H2,1-4H3,(H,13,14,18)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444440
PNG
(CHEMBL3092362)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(no1)C1CCOC1
Show InChI InChI=1S/C12H14N4O3S/c1-6-9(20-12(13-6)14-7(2)17)11-15-10(16-19-11)8-3-4-18-5-8/h8H,3-5H2,1-2H3,(H,13,14,17)
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n/an/a 57n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444450
PNG
(CHEMBL3092372)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(no1)C(C)(C)CCO
Show InChI InChI=1S/C13H18N4O3S/c1-7-9(21-12(14-7)15-8(2)19)10-16-11(17-20-10)13(3,4)5-6-18/h18H,5-6H2,1-4H3,(H,14,15,19)
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n/an/a 62n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444448
PNG
(CHEMBL3092361)
Show SMILES COCC(C)(C)Cc1noc(n1)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C14H20N4O3S/c1-8-11(22-13(15-8)16-9(2)19)12-17-10(18-21-12)6-14(3,4)7-20-5/h6-7H2,1-5H3,(H,15,16,19)
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n/an/a 68n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444441
PNG
(CHEMBL3092366)
Show SMILES Cc1nc(N)sc1-c1nc(no1)C(C)(C)C
Show InChI InChI=1S/C10H14N4OS/c1-5-6(16-9(11)12-5)7-13-8(14-15-7)10(2,3)4/h1-4H3,(H2,11,12)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444452
PNG
(CHEMBL3092370)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(CC(C)(C)O)no1
Show InChI InChI=1S/C12H16N4O3S/c1-6-9(20-11(13-6)14-7(2)17)10-15-8(16-19-10)5-12(3,4)18/h18H,5H2,1-4H3,(H,13,14,17)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444442
PNG
(CHEMBL3092364)
Show SMILES Cc1nc(N)sc1-c1cnc(o1)C(C)(C)C
Show InChI InChI=1S/C11H15N3OS/c1-6-8(16-10(12)14-6)7-5-13-9(15-7)11(2,3)4/h5H,1-4H3,(H2,12,14)
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n/an/a 81n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
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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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444439
PNG
(CHEMBL3092363)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(no1)N1CCOCC1
Show InChI InChI=1S/C12H15N5O3S/c1-7-9(21-12(13-7)14-8(2)18)10-15-11(16-20-10)17-3-5-19-6-4-17/h3-6H2,1-2H3,(H,13,14,18)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444451
PNG
(CHEMBL3092371)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(CCCO)no1
Show InChI InChI=1S/C11H14N4O3S/c1-6-9(19-11(12-6)13-7(2)17)10-14-8(15-18-10)4-3-5-16/h16H,3-5H2,1-2H3,(H,12,13,17)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))		BDBM50444444
PNG
(CHEMBL3092375)
Show SMILES CC(O)C(C)(C)Cc1noc(n1)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C14H20N4O3S/c1-7-11(22-13(15-7)16-9(3)20)12-17-10(18-21-12)6-14(4,5)8(2)19/h8,19H,6H2,1-5H3,(H,15,16,20)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as C5a-mediated PKB/Akt phosphorylation preincubated for 30 mins followed by C5a stimulation...

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444454
PNG
(CHEMBL3092368)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(CCO)no1
Show InChI InChI=1S/C10H12N4O3S/c1-5-8(18-10(11-5)12-6(2)16)9-13-7(3-4-15)14-17-9/h15H,3-4H2,1-2H3,(H,11,12,16)
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n/an/a 158n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))		BDBM50444445
PNG
(CHEMBL3092373)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(CC(C)(C)CO)no1
Show InChI InChI=1S/C13H18N4O3S/c1-7-10(21-12(14-7)15-8(2)19)11-16-9(17-20-11)5-13(3,4)6-18/h18H,5-6H2,1-4H3,(H,14,15,19)
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n/an/a 191n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as C5a-mediated PKB/Akt phosphorylation preincubated for 30 mins followed by C5a stimulation...

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50444449
PNG
(CHEMBL3092374)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(CCC(C)(C)O)no1
Show InChI InChI=1S/C13H18N4O3S/c1-7-10(21-12(14-7)15-8(2)18)11-16-9(17-20-11)5-6-13(3,4)19/h19H,5-6H2,1-4H3,(H,14,15,18)
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n/an/a 203n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))		BDBM50444447
PNG
(CHEMBL3092365)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(no1)C(C)(C)C
Show InChI InChI=1S/C12H16N4O2S/c1-6-8(19-11(13-6)14-7(2)17)9-15-10(16-18-9)12(3,4)5/h1-5H3,(H,13,14,17)
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n/an/a 231n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as C5a-mediated PKB/Akt phosphorylation preincubated for 30 mins followed by C5a stimulation...

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))		BDBM50444446
PNG
(CHEMBL3092367)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(CC(F)(F)F)no1
Show InChI InChI=1S/C10H9F3N4O2S/c1-4-7(20-9(14-4)15-5(2)18)8-16-6(17-19-8)3-10(11,12)13/h3H2,1-2H3,(H,14,15,18)
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n/an/a 278n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as C5a-mediated PKB/Akt phosphorylation preincubated for 30 mins followed by C5a stimulation...

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))		BDBM50444443
PNG
(CHEMBL3092376)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(no1)N1CCCC(O)C1
Show InChI InChI=1S/C13H17N5O3S/c1-7-10(22-13(14-7)15-8(2)19)11-16-12(17-21-11)18-5-3-4-9(20)6-18/h9,20H,3-6H2,1-2H3,(H,14,15,19)
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n/an/a 294n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as C5a-mediated PKB/Akt phosphorylation preincubated for 30 mins followed by C5a stimulation...

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))		BDBM50444440
PNG
(CHEMBL3092362)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1nc(no1)C1CCOC1
Show InChI InChI=1S/C12H14N4O3S/c1-6-9(20-12(13-6)14-7(2)17)11-15-10(16-19-11)8-3-4-18-5-8/h8H,3-5H2,1-2H3,(H,13,14,17)
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n/an/a 558n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as C5a-mediated PKB/Akt phosphorylation preincubated for 30 mins followed by C5a stimulation...

Bioorg Med Chem 21: 7578-83 (2013)


Article DOI: 10.1016/j.bmc.2013.10.042
BindingDB Entry DOI: 10.7270/Q27082W9
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
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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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n/an/a>1.00E+4n/an/an/an/an/an/a



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
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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
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