BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 125 hits from Daiichi Sankyo Co, Ltd   
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 X/antithrombin III


(Homo sapiens (human))
BDBM35767
PNG
(cis-1,2-diaminocyclohexane derivative, 5h)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc(O)c3cc(Cl)ccc3n2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C27H31ClN6O4S/c1-33(2)27(38)14-4-6-18(30-24(36)21-12-22(35)16-11-15(28)5-7-17(16)29-21)20(10-14)31-25(37)26-32-19-8-9-34(3)13-23(19)39-26/h5,7,11-12,14,18,20H,4,6,8-10,13H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)/t14-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.430n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310094
PNG
((7-carbamoyl-8H-indeno[1,2-d]thiazol-4-yloxy)methy...)
Show SMILES NC(=O)c1ccc(OCP(O)(O)=O)c-2c1Cc1scnc-21
Show InChI InChI=1S/C12H11N2O5PS/c13-12(15)6-1-2-8(19-5-20(16,17)18)10-7(6)3-9-11(10)14-4-21-9/h1-2,4H,3,5H2,(H2,13,15)(H2,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340866
PNG
(2-(4-(5-chloro-1H-indole-2-carboxamido)-3-(5-methy...)
Show SMILES CC(C(O)=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3CCN(C)Cc3s2)c1
Show InChI InChI=1S/C26H24ClN5O4S/c1-13(26(35)36)14-3-5-18(29-23(33)21-11-15-9-16(27)4-6-17(15)28-21)20(10-14)30-24(34)25-31-19-7-8-32(2)12-22(19)37-25/h3-6,9-11,13,28H,7-8,12H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35751
PNG
(cis-1,2-diaminocyclohexane derivative, 8h)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3c(F)c(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H30ClFN6O3S/c1-33(2)26(37)13-4-6-17(30-23(35)20-11-14-16(29-20)7-5-15(27)22(14)28)19(10-13)31-24(36)25-32-18-8-9-34(3)12-21(18)38-25/h5,7,11,13,17,19,29H,4,6,8-10,12H2,1-3H3,(H,30,35)(H,31,36)/t13-,17-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8206-20 (2009)


Article DOI: 10.1016/j.bmc.2009.10.023
BindingDB Entry DOI: 10.7270/Q2H130CP
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35769
PNG
(cis-1,2-diaminocyclohexane derivative, 5j)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2nc3ccc(Cl)cc3c(=O)[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H30ClN7O4S/c1-33(2)26(38)13-4-6-17(29-23(36)21-28-16-7-5-14(27)11-15(16)22(35)32-21)19(10-13)30-24(37)25-31-18-8-9-34(3)12-20(18)39-25/h5,7,11,13,17,19H,4,6,8-10,12H2,1-3H3,(H,29,36)(H,30,37)(H,28,32,35)/t13-,17-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340874
PNG
(3-(4-(5-chloro-1H-indole-2-carboxamido)-3-(5-methy...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(OCC(C)(C)C(O)=O)ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C28H28ClN5O5S/c1-28(2,27(37)38)14-39-17-5-7-19(31-24(35)22-11-15-10-16(29)4-6-18(15)30-22)21(12-17)32-25(36)26-33-20-8-9-34(3)13-23(20)40-26/h4-7,10-12,30H,8-9,13-14H2,1-3H3,(H,31,35)(H,32,36)(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340864
PNG
(2-(4-(5-chloro-1H-indole-2-carboxamido)-3-(5-methy...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(CC(O)=O)ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H22ClN5O4S/c1-31-7-6-18-21(12-31)36-25(30-18)24(35)29-19-8-13(9-22(32)33)2-4-17(19)28-23(34)20-11-14-10-15(26)3-5-16(14)27-20/h2-5,8,10-11,27H,6-7,9,12H2,1H3,(H,28,34)(H,29,35)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310095
PNG
((7-(methylcarbamoyl)-8H-indeno[1,2-d]thiazol-4-ylo...)
Show SMILES CNC(=O)c1ccc(OCP(O)(O)=O)c-2c1Cc1scnc-21
Show InChI InChI=1S/C13H13N2O5PS/c1-14-13(16)7-2-3-9(20-6-21(17,18)19)11-8(7)4-10-12(11)15-5-22-10/h2-3,5H,4,6H2,1H3,(H,14,16)(H2,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35756
PNG
(cis-1,2-diaminocyclohexane derivative, 8m)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C=O)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C27H31ClN6O4S/c1-33(2)27(38)14-4-6-19(30-24(36)23-17(13-35)16-11-15(28)5-7-18(16)29-23)21(10-14)31-25(37)26-32-20-8-9-34(3)12-22(20)39-26/h5,7,11,13-14,19,21,29H,4,6,8-10,12H2,1-3H3,(H,30,36)(H,31,37)/t14-,19-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8206-20 (2009)


Article DOI: 10.1016/j.bmc.2009.10.023
BindingDB Entry DOI: 10.7270/Q2H130CP
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340872
PNG
(2-(4-(5-chloro-1H-indole-2-carboxamido)-3-(5-methy...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(OC(C)(C)C(O)=O)ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C27H26ClN5O5S/c1-27(2,26(36)37)38-16-5-7-18(30-23(34)21-11-14-10-15(28)4-6-17(14)29-21)20(12-16)31-24(35)25-32-19-8-9-33(3)13-22(19)39-25/h4-7,10-12,29H,8-9,13H2,1-3H3,(H,30,34)(H,31,35)(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35743
PNG
(CHEMBL479863 | cis-1,2-diaminocyclohexane derivati...)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H31ClN6O3S/c1-32(2)26(36)14-4-6-18(29-23(34)21-12-15-10-16(27)5-7-17(15)28-21)20(11-14)30-24(35)25-31-19-8-9-33(3)13-22(19)37-25/h5,7,10,12,14,18,20,28H,4,6,8-9,11,13H2,1-3H3,(H,29,34)(H,30,35)/t14-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.30n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35743
PNG
(CHEMBL479863 | cis-1,2-diaminocyclohexane derivati...)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H31ClN6O3S/c1-32(2)26(36)14-4-6-18(29-23(34)21-12-15-10-16(27)5-7-17(15)28-21)20(11-14)30-24(35)25-31-19-8-9-33(3)13-22(19)37-25/h5,7,10,12,14,18,20,28H,4,6,8-9,11,13H2,1-3H3,(H,29,34)(H,30,35)/t14-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.30n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8206-20 (2009)


Article DOI: 10.1016/j.bmc.2009.10.023
BindingDB Entry DOI: 10.7270/Q2H130CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340868
PNG
(2-(4-(5-chloro-1H-indole-2-carboxamido)-3-(5-methy...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(OCC(O)=O)ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H22ClN5O5S/c1-31-7-6-18-21(11-31)37-25(30-18)24(35)29-19-10-15(36-12-22(32)33)3-5-17(19)28-23(34)20-9-13-8-14(26)2-4-16(13)27-20/h2-5,8-10,27H,6-7,11-12H2,1H3,(H,28,34)(H,29,35)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340876
PNG
(1-((4-(5-chloro-1H-indole-2-carboxamido)-3-(5-meth...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(OCC2(CC2)C(O)=O)ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C28H26ClN5O5S/c1-34-9-6-20-23(13-34)40-26(33-20)25(36)32-21-12-17(39-14-28(7-8-28)27(37)38)3-5-19(21)31-24(35)22-11-15-10-16(29)2-4-18(15)30-22/h2-5,10-12,30H,6-9,13-14H2,1H3,(H,31,35)(H,32,36)(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310093
PNG
((7-(pyrimidin-5-yl)-8H-indeno[1,2-d]thiazol-4-ylox...)
Show SMILES OP(O)(=O)COc1ccc(c2Cc3scnc3-c12)-c1cncnc1
Show InChI InChI=1S/C15H12N3O4PS/c19-23(20,21)8-22-12-2-1-10(9-4-16-6-17-5-9)11-3-13-15(14(11)12)18-7-24-13/h1-2,4-7H,3,8H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35762
PNG
(cis-1,2-diaminocyclohexane derivative, 5c)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C27H31ClN6O3S/c1-33(2)27(37)16-5-7-19(30-24(35)22-11-15-4-6-18(28)10-17(15)13-29-22)21(12-16)31-25(36)26-32-20-8-9-34(3)14-23(20)38-26/h4,6,10-11,13,16,19,21H,5,7-9,12,14H2,1-3H3,(H,30,35)(H,31,36)/t16-,19-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35759
PNG
(cis-1,2-diaminocyclohexane derivative, 8p)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H31BrN6O3S/c1-32(2)26(36)14-4-6-18(29-23(34)21-12-15-10-16(27)5-7-17(15)28-21)20(11-14)30-24(35)25-31-19-8-9-33(3)13-22(19)37-25/h5,7,10,12,14,18,20,28H,4,6,8-9,11,13H2,1-3H3,(H,29,34)(H,30,35)/t14-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8206-20 (2009)


Article DOI: 10.1016/j.bmc.2009.10.023
BindingDB Entry DOI: 10.7270/Q2H130CP
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35765
PNG
(cis-1,2-diaminocyclohexane derivative, 5f)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3nn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H30ClN7O3S/c1-33(2)26(37)15-5-7-17(28-23(35)21-10-14-4-6-16(27)12-19(14)31-32-21)20(11-15)29-24(36)25-30-18-8-9-34(3)13-22(18)38-25/h4,6,10,12,15,17,20H,5,7-9,11,13H2,1-3H3,(H,28,35)(H,29,36)/t15-,17-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35773
PNG
(cis-1,2-diaminocyclohexane derivative, 48)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CN(C)Cc2s1
Show InChI InChI=1S/C25H29ClN6O3S/c1-31(2)25(35)13-4-6-17(28-22(33)19-10-14-8-15(26)5-7-16(14)27-19)18(9-13)29-23(34)24-30-20-11-32(3)12-21(20)36-24/h5,7-8,10,13,17-18,27H,4,6,9,11-12H2,1-3H3,(H,28,33)(H,29,34)/t13-,17-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.40n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35753
PNG
(cis-1,2-diaminocyclohexane derivative, 8j)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2F)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H30ClFN6O3S/c1-33(2)26(37)13-4-6-17(30-23(35)22-21(28)15-11-14(27)5-7-16(15)29-22)19(10-13)31-24(36)25-32-18-8-9-34(3)12-20(18)38-25/h5,7,11,13,17,19,29H,4,6,8-10,12H2,1-3H3,(H,30,35)(H,31,36)/t13-,17-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.5n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8206-20 (2009)


Article DOI: 10.1016/j.bmc.2009.10.023
BindingDB Entry DOI: 10.7270/Q2H130CP
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340870
PNG
(2-(4-(5-chloro-1H-indole-2-carboxamido)-3-(5-methy...)
Show SMILES CC(Oc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3CCN(C)Cc3s2)c1)C(O)=O
Show InChI InChI=1S/C26H24ClN5O5S/c1-13(26(35)36)37-16-4-6-18(29-23(33)21-10-14-9-15(27)3-5-17(14)28-21)20(11-16)30-24(34)25-31-19-7-8-32(2)12-22(19)38-25/h3-6,9-11,13,28H,7-8,12H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35763
PNG
(cis-1,2-diaminocyclohexane derivative, 5d)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(Cl)ccc3c2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C27H31ClN6O3S/c1-33(2)27(37)16-5-7-19(30-24(35)17-10-15-4-6-18(28)12-21(15)29-13-17)22(11-16)31-25(36)26-32-20-8-9-34(3)14-23(20)38-26/h4,6,10,12-13,16,19,22H,5,7-9,11,14H2,1-3H3,(H,30,35)(H,31,36)/t16-,19-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35754
PNG
(cis-1,2-diaminocyclohexane derivative, 8k)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2Br)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H30BrClN6O3S/c1-33(2)26(37)13-4-6-17(30-23(35)22-21(27)15-11-14(28)5-7-16(15)29-22)19(10-13)31-24(36)25-32-18-8-9-34(3)12-20(18)38-25/h5,7,11,13,17,19,29H,4,6,8-10,12H2,1-3H3,(H,30,35)(H,31,36)/t13-,17-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.80n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8206-20 (2009)


Article DOI: 10.1016/j.bmc.2009.10.023
BindingDB Entry DOI: 10.7270/Q2H130CP
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35770
PNG
(cis-1,2-diaminocyclohexane derivative, 5k)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C2=Nc3ccc(Cl)cc3S(=O)(=O)N2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C25H30ClN7O5S2/c1-32(2)25(36)13-4-6-15(18(10-13)29-23(35)24-30-16-8-9-33(3)12-19(16)39-24)28-22(34)21-27-17-7-5-14(26)11-20(17)40(37,38)31-21/h5,7,11,13,15,18H,4,6,8-10,12H2,1-3H3,(H,27,31)(H,28,34)(H,29,35)/t13-,15-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340860
PNG
(CHEMBL1761617 | methyl 2-(4-(5-chloro-1H-indole-2-...)
Show SMILES COC(=O)COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3CCN(C)Cc3s2)c1
Show InChI InChI=1S/C26H24ClN5O5S/c1-32-8-7-19-22(12-32)38-26(31-19)25(35)30-20-11-16(37-13-23(33)36-2)4-6-18(20)29-24(34)21-10-14-9-15(27)3-5-17(14)28-21/h3-6,9-11,28H,7-8,12-13H2,1-2H3,(H,29,34)(H,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35755
PNG
(cis-1,2-diaminocyclohexane derivative, 8l)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(F)cc3c2Cl)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H30ClFN6O3S/c1-33(2)26(37)13-4-6-17(30-23(35)22-21(27)15-11-14(28)5-7-16(15)29-22)19(10-13)31-24(36)25-32-18-8-9-34(3)12-20(18)38-25/h5,7,11,13,17,19,29H,4,6,8-10,12H2,1-3H3,(H,30,35)(H,31,36)/t13-,17-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.70n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8206-20 (2009)


Article DOI: 10.1016/j.bmc.2009.10.023
BindingDB Entry DOI: 10.7270/Q2H130CP
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35760
PNG
(cis-1,2-diaminocyclohexane derivative, 5a)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ccc3cc(Cl)ccc3c2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C28H32ClN5O3S/c1-33(2)28(37)19-7-9-21(30-25(35)18-5-4-17-13-20(29)8-6-16(17)12-18)23(14-19)31-26(36)27-32-22-10-11-34(3)15-24(22)38-27/h4-6,8,12-13,19,21,23H,7,9-11,14-15H2,1-3H3,(H,30,35)(H,31,36)/t19-,21-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.70n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35748
PNG
(cis-1,2-diaminocyclohexane derivative, 8e)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2nc3ccc(Cl)cc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C25H30ClN7O3S/c1-32(2)25(36)13-4-6-16(29-22(34)21-27-15-7-5-14(26)11-19(15)28-21)18(10-13)30-23(35)24-31-17-8-9-33(3)12-20(17)37-24/h5,7,11,13,16,18H,4,6,8-10,12H2,1-3H3,(H,27,28)(H,29,34)(H,30,35)/t13-,16-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.5n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8206-20 (2009)


Article DOI: 10.1016/j.bmc.2009.10.023
BindingDB Entry DOI: 10.7270/Q2H130CP
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340857
PNG
(CHEMBL1761615 | N-(2-(5-chloro-1H-indole-2-carboxa...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H20ClN5O2S/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19/h2-7,10-11,25H,8-9,12H2,1H3,(H,26,30)(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50340862
PNG
(CHEMBL1761619 | N-(2-(5-chloro-1H-indole-2-carboxa...)
Show SMILES CN(C)C(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3CCN(C)Cc3s2)c1
Show InChI InChI=1S/C26H25ClN6O3S/c1-32(2)26(36)14-4-6-18(29-23(34)21-12-15-10-16(27)5-7-17(15)28-21)20(11-14)30-24(35)25-31-19-8-9-33(3)13-22(19)37-25/h4-7,10-12,28H,8-9,13H2,1-3H3,(H,29,34)(H,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 2133-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.132
BindingDB Entry DOI: 10.7270/Q2MK6D60
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310083
PNG
((7-methyl-8H-indeno[1,2-d]thiazol-4-yloxy)methylph...)
Show SMILES Cc1ccc(OCP(O)(O)=O)c-2c1Cc1scnc-21
Show InChI InChI=1S/C12H12NO4PS/c1-7-2-3-9(17-6-18(14,15)16)11-8(7)4-10-12(11)13-5-19-10/h2-3,5H,4,6H2,1H3,(H2,14,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310086
PNG
((7-chloro-8H-indeno[1,2-d]thiazol-4-yloxy)methylph...)
Show SMILES OP(O)(=O)COc1ccc(Cl)c2Cc3scnc3-c12
Show InChI InChI=1S/C11H9ClNO4PS/c12-7-1-2-8(17-5-18(14,15)16)10-6(7)3-9-11(10)13-4-19-9/h1-2,4H,3,5H2,(H2,14,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310088
PNG
((6,7-difluoro-8H-indeno[1,2-d]thiazol-4-yloxy)meth...)
Show SMILES OP(O)(=O)COc1cc(F)c(F)c2Cc3scnc3-c12
Show InChI InChI=1S/C11H8F2NO4PS/c12-6-2-7(18-4-19(15,16)17)9-5(10(6)13)1-8-11(9)14-3-20-8/h2-3H,1,4H2,(H2,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310092
PNG
((7-(pyridin-4-yl)-8H-indeno[1,2-d]thiazol-4-yloxy)...)
Show SMILES OP(O)(=O)COc1ccc(c2Cc3scnc3-c12)-c1ccncc1
Show InChI InChI=1S/C16H13N2O4PS/c19-23(20,21)9-22-13-2-1-11(10-3-5-17-6-4-10)12-7-14-16(15(12)13)18-8-24-14/h1-6,8H,7,9H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310091
PNG
((7-(pyridin-3-yl)-8H-indeno[1,2-d]thiazol-4-yloxy)...)
Show SMILES OP(O)(=O)COc1ccc(c2Cc3scnc3-c12)-c1cccnc1
Show InChI InChI=1S/C16H13N2O4PS/c19-23(20,21)9-22-13-4-3-11(10-2-1-5-17-7-10)12-6-14-16(15(12)13)18-8-24-14/h1-5,7-8H,6,9H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35772
PNG
(cis-1,2-diaminocyclohexane derivative, 45c)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3cn2)[C@@H](C1)NC(=O)c1nc2CN(C)Cc2s1
Show InChI InChI=1S/C26H29ClN6O3S/c1-32(2)26(36)15-5-7-18(29-23(34)20-9-14-4-6-17(27)8-16(14)11-28-20)19(10-15)30-24(35)25-31-21-12-33(3)13-22(21)37-25/h4,6,8-9,11,15,18-19H,5,7,10,12-13H2,1-3H3,(H,29,34)(H,30,35)/t15-,18-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 9.5n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310087
PNG
((6,7-dimethyl-8H-indeno[1,2-d]thiazol-4-yloxy)meth...)
Show SMILES Cc1cc(OCP(O)(O)=O)c-2c(Cc3scnc-23)c1C
Show InChI InChI=1S/C13H14NO4PS/c1-7-3-10(18-6-19(15,16)17)12-9(8(7)2)4-11-13(12)14-5-20-11/h3,5H,4,6H2,1-2H3,(H2,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50293594
PNG
(5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosph...)
Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310084
PNG
((7-ethyl-8H-indeno[1,2-d]thiazol-4-yloxy)methylpho...)
Show SMILES CCc1ccc(OCP(O)(O)=O)c-2c1Cc1scnc-21
Show InChI InChI=1S/C13H14NO4PS/c1-2-8-3-4-10(18-7-19(15,16)17)12-9(8)5-11-13(12)14-6-20-11/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310082
PNG
((8H-indeno[1,2-d]thiazol-4-yloxy)methylphosphonic ...)
Show SMILES OP(O)(=O)COc1cccc2Cc3scnc3-c12
Show InChI InChI=1S/C11H10NO4PS/c13-17(14,15)6-16-8-3-1-2-7-4-9-11(10(7)8)12-5-18-9/h1-3,5H,4,6H2,(H2,13,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35771
PNG
(cis-1,2-diaminocyclohexane derivative, 45a)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ccc3cc(Cl)ccc3c2)[C@@H](C1)NC(=O)c1nc2CN(C)Cc2s1
Show InChI InChI=1S/C27H30ClN5O3S/c1-32(2)27(36)18-7-9-20(29-24(34)17-5-4-16-11-19(28)8-6-15(16)10-17)21(12-18)30-25(35)26-31-22-13-33(3)14-23(22)37-26/h4-6,8,10-11,18,20-21H,7,9,12-14H2,1-3H3,(H,29,34)(H,30,35)/t18-,20-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35768
PNG
(cis-1,2-diaminocyclohexane derivative, 5i)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C27H31ClN6O4S/c1-33(2)27(38)15-5-7-18(29-23(35)17-10-14-4-6-16(28)12-20(14)30-24(17)36)21(11-15)31-25(37)26-32-19-8-9-34(3)13-22(19)39-26/h4,6,10,12,15,18,21H,5,7-9,11,13H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)/t15-,18-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM35758
PNG
(cis-1,2-diaminocyclohexane derivative, 8o)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Show InChI InChI=1S/C26H31FN6O3S/c1-32(2)26(36)14-4-6-18(29-23(34)21-12-15-10-16(27)5-7-17(15)28-21)20(11-14)30-24(35)25-31-19-8-9-33(3)13-22(19)37-25/h5,7,10,12,14,18,20,28H,4,6,8-9,11,13H2,1-3H3,(H,29,34)(H,30,35)/t14-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8206-20 (2009)


Article DOI: 10.1016/j.bmc.2009.10.023
BindingDB Entry DOI: 10.7270/Q2H130CP
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310085
PNG
((7-fluoro-8H-indeno[1,2-d]thiazol-4-yloxy)methylph...)
Show SMILES OP(O)(=O)COc1ccc(F)c2Cc3scnc3-c12
Show InChI InChI=1S/C11H9FNO4PS/c12-7-1-2-8(17-5-18(14,15)16)10-6(7)3-9-11(10)13-4-19-9/h1-2,4H,3,5H2,(H2,14,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50348931
PNG
(CHEMBL1807619)
Show SMILES F[C@H]1CN[C@H](CNC(=O)c2ccc(cc2F)-c2cnc3ccc(NC4CCCC4)nn23)C1
Show InChI InChI=1S/C23H26F2N6O/c24-15-10-17(26-11-15)12-28-23(32)18-6-5-14(9-19(18)25)20-13-27-22-8-7-21(30-31(20)22)29-16-3-1-2-4-16/h5-9,13,15-17,26H,1-4,10-12H2,(H,28,32)(H,29,30)/t15-,17+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs


Bioorg Med Chem Lett 21: 4550-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50348930
PNG
(CHEMBL1807618)
Show SMILES F[C@H]1CN[C@H](CNC(=O)c2ccc(cc2F)-c2cnc3ccc(NC4CCC4)nn23)C1
Show InChI InChI=1S/C22H24F2N6O/c23-14-9-16(25-10-14)11-27-22(31)17-5-4-13(8-18(17)24)19-12-26-21-7-6-20(29-30(19)21)28-15-2-1-3-15/h4-8,12,14-16,25H,1-3,9-11H2,(H,27,31)(H,28,29)/t14-,16+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs


Bioorg Med Chem Lett 21: 4550-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50348928
PNG
(CHEMBL1807616)
Show SMILES CCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1
Show InChI InChI=1S/C22H26F2N6O/c1-2-3-8-25-20-6-7-21-27-13-19(30(21)29-20)14-4-5-17(18(24)9-14)22(31)28-12-16-10-15(23)11-26-16/h4-7,9,13,15-16,26H,2-3,8,10-12H2,1H3,(H,25,29)(H,28,31)/t15-,16+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs


Bioorg Med Chem Lett 21: 4550-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50348929
PNG
(CHEMBL1807617)
Show SMILES CCCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1
Show InChI InChI=1S/C23H28F2N6O/c1-2-3-4-9-26-21-7-8-22-28-14-20(31(22)30-21)15-5-6-18(19(25)10-15)23(32)29-13-17-11-16(24)12-27-17/h5-8,10,14,16-17,27H,2-4,9,11-13H2,1H3,(H,26,30)(H,29,32)/t16-,17+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs


Bioorg Med Chem Lett 21: 4550-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50348920
PNG
(CHEMBL1807609)
Show SMILES F[C@H]1CN[C@H](CNC(=O)c2ccc(cc2F)-c2cnc3ccc(NCC4CC4)nn23)C1
Show InChI InChI=1S/C22H24F2N6O/c23-15-8-16(25-10-15)11-28-22(31)17-4-3-14(7-18(17)24)19-12-27-21-6-5-20(29-30(19)21)26-9-13-1-2-13/h3-7,12-13,15-16,25H,1-2,8-11H2,(H,26,29)(H,28,31)/t15-,16+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs


Bioorg Med Chem Lett 21: 4550-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50310089
PNG
((7-phenyl-8H-indeno[1,2-d]thiazol-4-yloxy)methylph...)
Show SMILES OP(O)(=O)COc1ccc(c2Cc3scnc3-c12)-c1ccccc1
Show InChI InChI=1S/C17H14NO4PS/c19-23(20,21)10-22-14-7-6-12(11-4-2-1-3-5-11)13-8-15-17(16(13)14)18-9-24-15/h1-7,9H,8,10H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver recombinant FBPase


Bioorg Med Chem Lett 20: 1004-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.056
BindingDB Entry DOI: 10.7270/Q2JW8F1D
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 125 total )  |  Next  |  Last  >>
Jump to: