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Compile Data Set for Download or QSAR

Found 265 hits of ic50 for UniProtKB: P00740   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor IX


(Homo sapiens (Human))
BDBM324222
PNG
(US10189819, Example 59)
Show SMILES COc1cc2nc([nH]c2cc1Cl)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(c1)C(O)=O
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324225
PNG
(US10189819, Example 62)
Show SMILES COc1cc2nc([nH]c2cc1Cl)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(CC(O)=O)c1
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n/an/a 1.75n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324255
PNG
(US10189819, Example 109)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnn(C)c1=O)c1cccc(F)c1 |r|
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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50151406
PNG
(CHEMBL3774670)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2ccc(O)c(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r|
Show InChI InChI=1/C26H21Cl2FN6O2/c1-13-31-12-35(34-13)17-9-19(27)25(20(28)10-17)26(37)30-11-18(15-4-6-24(36)21(29)7-15)16-3-5-22-23(8-16)33-14(2)32-22/h3-10,12,18,36H,11H2,1-2H3,(H,30,37)(H,32,33)/t18-/s2
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-DCHG-Gly-Arg-AFC.AcOH as substrate preinubated for 30 mins followed by substrate addition measured after 1...


J Med Chem 59: 1818-29 (2016)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324235
PNG
(US10189819, Example 78)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2F)c(Cl)c1 |r|
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n/an/a 1.93n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324250
PNG
(US10189819, Example 104)
Show SMILES OC(=O)c1ccc2ncn(-c3ccc(C(=O)NCC(c4cccc(F)c4)c4nc5c(F)ccc(Cl)c5c(=O)[nH]4)c(Cl)c3)c2c1
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n/an/a 1.97n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324221
PNG
(US10189819, Example 58)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1ccc(cc1)C(N)=O |r|
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n/an/a 2.36n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324216
PNG
(US10189819, Example 53)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccc(F)cc1
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n/an/a 2.82n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324211
PNG
(US10189819, Example 48 | US10189819, Example 54)
Show SMILES COc1cc2nc([nH]c2cc1Cl)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1
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n/an/a 2.86n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324211
PNG
(US10189819, Example 48 | US10189819, Example 54)
Show SMILES COc1cc2nc([nH]c2cc1Cl)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1
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n/an/a 2.86n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324230
PNG
(US10189819, Example 67)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(c1)C(=O)NC1CC1 |r|
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n/an/a 2.90n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324251
PNG
(US10189819, Example 105)
Show SMILES OC(=O)c1ccc2n(cnc2c1)-c1ccc(C(=O)NCC(c2cccc(F)c2)c2nc3c(F)ccc(Cl)c3c(=O)[nH]2)c(Cl)c1
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n/an/a 3.32n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324178
PNG
(US10189819, Example 7)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnnc1)c1ccccc1
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n/an/a 3.64n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50125978
PNG
(CHEMBL3627898 | US10189819, Example 77)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2cnc3[nH]c(C)cc3c2)c(Cl)c1 |r|
Show InChI InChI=1/C26H21Cl2FN6O/c1-14-6-17-7-18(11-30-25(17)33-14)21(16-4-3-5-19(29)8-16)12-31-26(36)24-22(27)9-20(10-23(24)28)35-13-32-15(2)34-35/h3-11,13,21H,12H2,1-2H3,(H,30,33)(H,31,36)/t21-/s2
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n/an/a 3.70n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324224
PNG
(US10189819, Example 61)
Show SMILES CNC(=O)c1cccc(c1)[C@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1nc2cc(OC)c(Cl)cc2[nH]1 |r|
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n/an/a 4.78n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324223
PNG
(US10189819, Example 60)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1ccc(cc1)C(O)=O |r|
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n/an/a 4.79n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324186
PNG
(US10189819, Example 15)
Show SMILES Cc1nncn1-c1ccc(C(=O)NCC(c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1
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n/an/a 4.90n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240469
PNG
(CHEMBL4096341)
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n/an/a 4.90n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM324228
PNG
(US10189819, Example 65)
Show SMILES CCOC(=O)c1ccc(cc1)[C@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1nc2cc(OC)c(Cl)cc2[nH]1 |r|
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n/an/a 5.60n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324213
PNG
(US10189819, Example 50)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccc(F)c1
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n/an/a 5.69n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324227
PNG
(US10189819, Example 64)
Show SMILES COC(=O)Cc1cccc(c1)C(CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1nc2cc(OC)c(Cl)cc2[nH]1
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n/an/a 6.10n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324210
PNG
(US10189819, Example 47)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NCC(c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1
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n/an/a 6.18n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324249
PNG
(US10189819, Example 103)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)NC[C@@H](c2cccc(F)c2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1 |r|
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n/an/a 6.35n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50151405
PNG
(CHEMBL3775211 | US10189819, Example 79)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2cc(F)c3[nH]c(C)nc3c2)c(Cl)c1 |r|
Show InChI InChI=1/C26H20Cl2F2N6O/c1-13-32-12-36(35-13)18-9-20(27)24(21(28)10-18)26(37)31-11-19(15-4-3-5-17(29)6-15)16-7-22(30)25-23(8-16)33-14(2)34-25/h3-10,12,19H,11H2,1-2H3,(H,31,37)(H,33,34)/t19-/s2
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n/an/a 6.42n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324247
PNG
(US10189819, Example 101)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1
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n/an/a 6.68n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324179
PNG
(US10189819, Example 8)
Show SMILES Cc1ncn(n1)-c1cc(C)c(C(=O)NCC(c2nc3cc(C)c(C)cc3[nH]2)c2ccccc2)c(Cl)c1
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n/an/a 6.99n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324253
PNG
(US10189819, Example 107)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnc(CCO)c1)c1cccc(F)c1 |r|
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n/an/a 7.30n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324182
PNG
(US10189819, Example 11)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(C)cc(cc1Cl)-n1cnnc1)c1ccccc1
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n/an/a 8.05n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324215
PNG
(US10189819, Example 52)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccc(F)cc1
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n/an/a 8.42n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324252
PNG
(US10189819, Example 106)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-c1ccnnc1)c1cccc(F)c1 |r|
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n/an/a 8.5n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324220
PNG
(US10189819, Example 57)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cnc(nc1)N(C)C |r|
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n/an/a 8.76n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324256
PNG
(US10189819, Example 110)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccnc2)c2nc3c(F)ccc(C)c3c(=O)n2C)c(Cl)c1 |r|
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n/an/a 8.90n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324254
PNG
(US10189819, Example 108)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-c1ccc(=O)n(C)c1)c1cccc(F)c1 |r|
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n/an/a 9.20n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324257
PNG
(US10189819, Example 111)
Show SMILES Cc1ccc(F)c2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1C(F)F)c1cccc(F)c1 |r|
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n/an/a 9.60n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50125974
PNG
(CHEMBL3627895 | US10189819, Example 46)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r|
Show InChI InChI=1/C25H18Cl3FN6O/c1-13-31-12-35(34-13)17-9-19(27)23(20(28)10-17)25(36)30-11-18(14-3-2-4-16(29)7-14)24-32-21-6-5-15(26)8-22(21)33-24/h2-10,12,18H,11H2,1H3,(H,30,36)(H,32,33)/t18-/s2
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n/an/a 9.78n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM150291
PNG
(US8987242, 105)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(cc1)N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc(cc2)C(N)=N)C1=O
Show InChI InChI=1S/C26H26N4O6S/c1-37(34,35)21-5-3-2-4-20(21)16-8-12-19(13-9-16)30-14-15-36-23(26(30)33)22(31)25(32)29-18-10-6-17(7-11-18)24(27)28/h2-13,22-23,31H,14-15H2,1H3,(H3,27,28)(H,29,32)/t22-,23-/m1/s1
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US Patent
n/an/a 10n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceuticals Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US8987242 (2015)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50125977
PNG
(CHEMBL3627897)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r|
Show InChI InChI=1/C26H21Cl2FN6O/c1-14-31-13-35(34-14)19-10-21(27)25(22(28)11-19)26(36)30-12-20(16-4-3-5-18(29)8-16)17-6-7-23-24(9-17)33-15(2)32-23/h3-11,13,20H,12H2,1-2H3,(H,30,36)(H,32,33)/t20-/s2
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-DCHG-Gly-Arg-AFC.AcOH as substrate preinubated for 30 mins followed by substrate addition measured after 1...


J Med Chem 59: 1818-29 (2016)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324204
PNG
(US10189819, Example 34)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(Cl)cc(cc1Cl)-c1cncc(CO)c1)c1ccccc1
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n/an/a 10.3n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50125981
PNG
(CHEMBL3627901 | US10189819, Example 113)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3c(C)ccc(F)c3n2)c(Cl)c1 |r|
Show InChI InChI=1/C28H21Cl2F2N5O/c1-15-6-8-24(32)27-20(15)7-9-25(35-27)21(17-4-3-5-18(31)10-17)13-33-28(38)26-22(29)11-19(12-23(26)30)37-14-34-16(2)36-37/h3-12,14,21H,13H2,1-2H3,(H,33,38)/t21-/s2
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n/an/a 10.4n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324248
PNG
(US10189819, Example 102)
Show SMILES Cc1ncn(n1)-c1ccc(C(=O)NC[C@@H](c2ccccc2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1 |r|
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n/an/a 10.7n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50153888
PNG
(CHEMBL3774998)
Show SMILES Cc1nc2cc(ccc2[nH]1)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(CO)n1)c1cccc(F)c1 |r|
Show InChI InChI=1/C26H21Cl2FN6O2/c1-14-32-22-6-5-16(8-23(22)33-14)19(15-3-2-4-17(29)7-15)11-30-26(37)25-20(27)9-18(10-21(25)28)35-13-31-24(12-36)34-35/h2-10,13,19,36H,11-12H2,1H3,(H,30,37)(H,32,33)/t19-/s2
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-DCHG-Gly-Arg-AFC.AcOH as substrate preinubated for 30 mins followed by substrate addition measured after 1...


J Med Chem 59: 1818-29 (2016)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM150295
PNG
(US8987242, aa144)
Show SMILES OC([C@H]1OCCN(C1=O)c1ccc(F)c(c1)C(=O)N1CCOCC1)C(=O)Nc1ccc2C(=N)NCc2c1
Show InChI InChI=1S/C25H26FN5O6/c26-19-4-2-16(12-18(19)24(34)30-5-8-36-9-6-30)31-7-10-37-21(25(31)35)20(32)23(33)29-15-1-3-17-14(11-15)13-28-22(17)27/h1-4,11-12,20-21,32H,5-10,13H2,(H2,27,28)(H,29,33)/t20?,21-/m1/s1
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US Patent
n/an/a 13n/an/an/an/a8.025



Merck Sharp & Dohme Corp.; Mochida Pharmaceuticals Co., Ltd.

US Patent


Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


US Patent US8987242 (2015)

More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240487
PNG
(CHEMBL4066380)
PDB
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n/an/a 13n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50240470
PNG
(CHEMBL4092982)
PDB
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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
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324180
PNG
(US10189819, Example 9)
Show SMILES COc1cc(cc(Cl)c1C(=O)NCC(c1nc2cc(C)c(C)cc2[nH]1)c1ccccc1)-n1cnnc1
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n/an/a 14.8n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240471
PNG
(CHEMBL4069082)
PDB
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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
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324181
PNG
(US10189819, Example 10)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1c(F)cc(cc1Cl)-n1cnnc1)c1ccccc1
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n/an/a 15.2n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324219
PNG
(US10189819, Example 56)
Show SMILES Cc1cc2nc([nH]c2cc1C)C(CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1cccnc1
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n/an/a 15.3n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324229
PNG
(US10189819, Example 66)
Show SMILES CCOC(=O)c1cccc(c1)[C@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1nc2cc(OC)c(Cl)cc2[nH]1 |r|
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n/an/a 16.8n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM324246
PNG
(US10189819, Example 100)
Show SMILES Cc1cccc2nc([nH]c(=O)c12)[C@@H](CNC(=O)c1ccc(cc1Cl)-n1cnnc1)c1ccccc1 |r|
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n/an/a 16.8n/an/an/an/an/an/a



Merck Sharp & Dohme, Corp.; Mochida Paraceuticals Co., Ltd.

US Patent




US Patent US10189819 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
More data for this
Ligand-Target Pair
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