Found 44 hits with Last Name = 'fukuda' and Initial = 'n' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339899
((3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)ami...)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)C1CCCCC1 |r,wU:7.10,15.35,16.18,1.0,wD:4.3,(-1.18,-12.7,;.15,-13.47,;.15,-15.01,;-1.18,-15.78,;1.48,-12.7,;2.82,-13.47,;4.15,-12.7,;4.15,-11.16,;2.82,-10.39,;1.48,-11.16,;5.49,-10.39,;6.82,-11.16,;5.49,-8.85,;4.24,-7.94,;4.72,-6.48,;6.26,-6.48,;6.73,-7.94,;8.06,-8.71,;8.06,-10.25,;9.4,-7.94,;10.73,-8.71,;10.73,-10.25,;12.07,-11.02,;13.4,-10.25,;14.86,-10.73,;15.77,-9.48,;14.86,-8.24,;13.4,-8.71,;12.07,-7.94,;17.31,-9.48,;18.08,-10.82,;18.08,-8.15,;7.03,-5.14,;8.57,-5.14,;9.34,-3.81,;8.57,-2.48,;7.03,-2.48,;6.26,-3.81,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339903
(US9758480, 114)Show SMILES CS(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2[nH]1 |r,wU:22.22,16.33,15.14,28.30,wD:25.29,(18.85,-12.15,;17.31,-12.15,;15.77,-12.15,;18.08,-13.48,;18.08,-10.82,;17.31,-9.48,;18.08,-8.15,;15.77,-9.48,;14.86,-8.24,;13.4,-8.71,;12.07,-7.94,;10.73,-8.71,;9.4,-7.94,;8.06,-8.71,;8.06,-10.25,;6.73,-7.94,;6.26,-6.48,;4.72,-6.48,;4.24,-7.94,;5.49,-8.85,;5.49,-10.39,;6.82,-11.16,;4.15,-11.16,;4.15,-12.7,;2.82,-13.47,;1.48,-12.7,;1.48,-11.16,;2.82,-10.39,;.15,-13.47,;-1.18,-12.7,;.15,-15.01,;-1.18,-15.78,;7.03,-5.14,;8.57,-5.14,;9.34,-3.81,;8.57,-2.48,;7.03,-2.48,;6.26,-3.81,;10.73,-10.25,;12.07,-11.02,;13.4,-10.25,;14.86,-10.73,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339926
(Pentyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxyc...)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCOCC1)C1CCCCC1 |r,wU:7.10,16.18,1.0,15.45,wD:4.3,(-11.94,-13.96,;-10.61,-14.73,;-10.61,-16.27,;-11.94,-17.04,;-9.27,-13.96,;-7.94,-14.73,;-6.61,-13.96,;-6.61,-12.42,;-7.94,-11.65,;-9.27,-12.42,;-5.27,-11.65,;-3.94,-12.42,;-5.27,-10.11,;-6.52,-9.21,;-6.04,-7.74,;-4.5,-7.74,;-4.03,-9.21,;-2.69,-9.98,;-2.69,-11.52,;-1.36,-9.21,;-.03,-9.98,;-.03,-11.52,;1.31,-12.29,;2.64,-11.52,;4.11,-12,;5.01,-10.75,;4.11,-9.5,;2.64,-9.98,;1.31,-9.21,;6.55,-10.75,;7.32,-9.42,;7.32,-12.08,;8.86,-12.08,;10.19,-11.31,;8.86,-10.54,;9.63,-13.42,;8.86,-14.75,;9.63,-16.08,;11.17,-16.08,;11.94,-14.75,;11.17,-13.42,;-3.41,-6.66,;-1.93,-7.05,;-.84,-5.97,;-1.24,-4.48,;-2.72,-4.08,;-3.81,-5.17,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339882
(5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomet...)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccccc1 |r,wU:5.8,14.16,wD:2.1,(-8.46,2.24,;-7.12,1.47,;-5.79,2.24,;-4.46,1.47,;-3.12,2.24,;-3.12,3.78,;-4.46,4.55,;-5.79,3.78,;-1.79,4.55,;-.45,3.78,;-1.79,6.09,;-3.03,6.99,;-2.56,8.46,;-1.02,8.46,;-.54,6.99,;.79,6.22,;.79,4.68,;2.12,6.99,;3.46,6.22,;3.46,4.68,;4.79,3.91,;6.17,4.65,;7.65,4.24,;8.52,5.51,;7.58,6.73,;6.13,6.22,;4.79,6.99,;10.06,5.56,;10.87,4.25,;10.79,6.91,;.07,9.54,;1.56,9.15,;2.65,10.23,;2.25,11.72,;.76,12.12,;-.33,11.03,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339927
(Cyclopropylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCCCC1)C1CCCCC1 |r,wU:7.10,16.18,1.0,15.45,wD:4.3,(-11.94,-13.96,;-10.61,-14.73,;-10.61,-16.27,;-11.94,-17.04,;-9.27,-13.96,;-7.94,-14.73,;-6.61,-13.96,;-6.61,-12.42,;-7.94,-11.65,;-9.27,-12.42,;-5.27,-11.65,;-3.94,-12.42,;-5.27,-10.11,;-6.52,-9.21,;-6.04,-7.74,;-4.5,-7.74,;-4.03,-9.21,;-2.69,-9.98,;-2.69,-11.52,;-1.36,-9.21,;-.03,-9.98,;-.03,-11.52,;1.31,-12.29,;2.64,-11.52,;4.11,-12,;5.01,-10.75,;4.11,-9.5,;2.64,-9.98,;1.31,-9.21,;6.55,-10.75,;7.32,-9.42,;7.32,-12.08,;8.86,-12.08,;10.19,-11.31,;8.86,-10.54,;9.63,-13.42,;8.86,-14.75,;9.63,-16.08,;11.17,-16.08,;11.94,-14.75,;11.17,-13.42,;-3.41,-6.66,;-1.93,-7.05,;-.84,-5.97,;-1.24,-4.48,;-2.72,-4.08,;-3.81,-5.17,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339889
(US9758480, 35)Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)C1CCCCC1 |r,wU:7.10,15.35,16.18,wD:4.3,(-9.64,20.86,;-8.3,20.09,;-8.3,18.55,;-9.64,17.78,;-6.97,20.86,;-5.64,20.09,;-4.3,20.86,;-4.3,22.4,;-5.64,23.17,;-6.97,22.4,;-2.97,23.17,;-1.64,22.4,;-2.97,24.71,;-4.21,25.61,;-3.74,27.08,;-2.2,27.08,;-1.72,25.61,;-.39,24.84,;-.39,23.3,;.94,25.61,;2.28,24.84,;2.28,23.3,;3.61,22.53,;4.95,23.3,;6.41,22.83,;7.32,24.07,;6.41,25.32,;4.95,24.84,;3.61,25.61,;8.86,24.07,;9.63,25.41,;9.63,22.74,;-1.43,28.41,;.11,28.41,;.88,29.74,;.13,31.19,;-1.43,31.08,;-2.2,29.74,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339888
(US9758480, 34)Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1 |r,wU:7.10,15.36,16.18,wD:4.3,(-9.64,20.86,;-8.3,20.09,;-8.3,18.55,;-9.64,17.78,;-6.97,20.86,;-5.64,20.09,;-4.3,20.86,;-4.3,22.4,;-5.64,23.17,;-6.97,22.4,;-2.97,23.17,;-1.64,22.4,;-2.97,24.71,;-4.21,25.61,;-3.74,27.08,;-2.2,27.08,;-1.72,25.61,;-.39,24.84,;-.39,23.3,;.94,25.61,;2.28,24.84,;2.28,23.3,;3.61,22.53,;4.95,23.3,;6.41,22.83,;7.32,24.07,;8.86,24.07,;9.63,25.41,;9.63,22.74,;6.41,25.32,;6.89,26.78,;4.95,24.84,;3.61,25.61,;-1.43,28.41,;.11,28.41,;.88,29.74,;.13,31.19,;-1.43,31.08,;-2.2,29.74,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339925
(Tetrahydro-2H-pyran-4-ylmethyl 5-{[(3S)-1-[(trans-...)Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2o1 |r,wU:24.24,17.16,30.32,18.35,wD:27.31,(8.86,-14.75,;9.63,-13.42,;11.17,-13.42,;8.86,-12.08,;10.19,-11.31,;8.86,-10.54,;7.32,-12.08,;6.55,-10.75,;7.32,-9.41,;5.01,-10.75,;4.11,-9.5,;2.64,-9.98,;1.31,-9.21,;-.03,-9.98,;-1.36,-9.21,;-2.69,-9.98,;-2.69,-11.52,;-4.03,-9.21,;-4.5,-7.74,;-6.04,-7.74,;-6.52,-9.21,;-5.27,-10.11,;-5.27,-11.65,;-3.94,-12.42,;-6.61,-12.42,;-6.61,-13.96,;-7.94,-14.73,;-9.27,-13.96,;-9.27,-12.42,;-7.94,-11.65,;-10.61,-14.73,;-11.94,-13.96,;-10.61,-16.27,;-11.94,-17.04,;-3.41,-6.65,;-1.93,-7.05,;-.84,-5.96,;-1.24,-4.48,;-2.72,-4.08,;-3.81,-5.17,;-.03,-11.52,;1.31,-12.29,;2.64,-11.52,;4.11,-11.99,)| Show InChI InChI=1S/C31H44FN5O6S/c1-36(2)44(41,42)35-29(38)27-17-22-16-23(12-13-26(22)43-27)34-30(39)28-24(19-6-4-3-5-7-19)14-15-37(28)31(40)21-10-8-20(9-11-21)25(33)18-32/h12-13,16-17,19-21,24-25,28H,3-11,14-15,18,33H2,1-2H3,(H,34,39)(H,35,38)/t20-,21-,24-,25+,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339890
(US9758480, 38)Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1 |r,wU:7.10,15.35,16.18,wD:4.3,(-9.64,20.86,;-8.3,20.09,;-8.3,18.55,;-9.64,17.78,;-6.97,20.86,;-5.64,20.09,;-4.3,20.86,;-4.3,22.4,;-5.64,23.17,;-6.97,22.4,;-2.97,23.17,;-1.64,22.4,;-2.97,24.71,;-4.21,25.61,;-3.74,27.08,;-2.2,27.08,;-1.72,25.61,;-.39,24.84,;-.39,23.3,;.94,25.61,;2.28,24.84,;2.28,23.3,;3.61,22.53,;4.95,23.3,;6.41,22.83,;7.32,24.07,;6.41,25.32,;4.95,24.84,;3.61,25.61,;8.86,24.07,;9.63,25.41,;9.63,22.74,;-1.43,28.41,;.11,28.41,;.88,29.74,;.13,31.19,;.89,32.53,;-1.43,31.08,;-2.2,29.74,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339920
(US9758480, 184 | tert-Butyl [(1S)-1-(trans-4-{[(2S...)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1 |r,wU:7.10,15.36,16.18,1.0,wD:4.3,(-21.63,-2.93,;-20.29,-3.7,;-20.29,-5.24,;-21.63,-6.01,;-18.96,-2.93,;-17.63,-3.7,;-16.29,-2.93,;-16.29,-1.39,;-17.63,-.62,;-18.96,-1.39,;-14.96,-.62,;-13.63,-1.39,;-14.96,.92,;-16.21,1.82,;-15.73,3.29,;-14.19,3.29,;-13.71,1.82,;-12.38,1.05,;-12.38,-.49,;-11.05,1.82,;-9.71,1.05,;-9.71,-.49,;-8.38,-1.26,;-7.05,-.49,;-5.54,-.98,;-4.61,.31,;-3.02,.31,;-2.23,1.68,;-2.23,-1.07,;-5.54,1.59,;-4.81,2.86,;-7.05,1.1,;-8.38,1.82,;-13.42,4.62,;-11.88,4.62,;-11.11,5.96,;-11.88,7.29,;-13.42,7.29,;-14.19,5.96,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339919
(Cyclopentylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1 |r,wU:7.10,16.18,1.0,wD:15.35,4.3,(-.96,-15.03,;.37,-15.8,;.37,-17.34,;-.96,-18.11,;1.71,-15.03,;3.04,-15.8,;4.38,-15.03,;4.38,-13.49,;3.04,-12.72,;1.71,-13.49,;5.71,-12.72,;7.04,-13.49,;5.71,-11.18,;4.46,-10.27,;4.94,-8.81,;6.48,-8.81,;6.95,-10.27,;8.29,-11.04,;8.29,-12.58,;9.62,-10.27,;10.96,-11.04,;10.96,-12.58,;12.29,-13.35,;13.62,-12.58,;15.09,-13.06,;15.99,-11.81,;15.09,-10.57,;13.62,-11.04,;12.29,-10.27,;17.53,-11.81,;18.3,-13.15,;18.3,-10.48,;7.25,-7.48,;8.79,-7.48,;9.56,-6.14,;8.79,-4.81,;9.56,-3.47,;7.25,-4.81,;6.48,-6.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339896
(5-[(2S,3S)-1-{trans-4-[(1S)-1-(tert-Butoxycarbonyl...)Show SMILES N[C@H](CF)C1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1 |r,wU:7.10,16.18,1.0,wD:15.35,(-9.53,-11.25,;-8.19,-12.02,;-8.19,-13.56,;-9.53,-14.33,;-6.86,-11.25,;-5.53,-12.02,;-4.19,-11.25,;-4.19,-9.71,;-5.53,-8.94,;-6.86,-9.71,;-2.86,-8.94,;-1.53,-9.71,;-2.86,-7.4,;-4.11,-6.49,;-3.63,-5.03,;-2.09,-5.03,;-1.61,-6.49,;-.28,-7.26,;-.28,-8.8,;1.05,-6.49,;2.39,-7.26,;2.39,-8.8,;3.72,-9.57,;5.05,-8.8,;6.52,-9.28,;7.42,-8.03,;6.52,-6.79,;5.05,-7.26,;3.72,-6.49,;8.96,-8.03,;9.73,-6.7,;9.73,-9.37,;-1.32,-3.7,;.22,-3.7,;.99,-2.36,;.22,-1.03,;-1.32,-1.03,;-2.09,-2.36,)| Show InChI InChI=1S/C29H38FN3O5/c30-16-23(31)18-6-8-19(9-7-18)28(35)33-13-12-22(17-4-2-1-3-5-17)26(33)27(34)32-21-10-11-24-20(14-21)15-25(38-24)29(36)37/h10-11,14-15,17-19,22-23,26H,1-9,12-13,16,31H2,(H,32,34)(H,36,37)/t18?,19-,22-,23-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339884
(5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomet...)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(N)=O)c1ccccc1 |r,wU:5.8,14.16,wD:2.1,(-8.46,2.24,;-7.12,1.47,;-5.79,2.24,;-4.46,1.47,;-3.12,2.24,;-3.12,3.78,;-4.46,4.55,;-5.79,3.78,;-1.79,4.55,;-.45,3.78,;-1.79,6.09,;-3.03,6.99,;-2.56,8.46,;-1.02,8.46,;-.54,6.99,;.79,6.22,;.79,4.68,;2.12,6.99,;3.46,6.22,;3.46,4.68,;4.79,3.91,;6.17,4.65,;7.65,4.24,;8.52,5.51,;7.58,6.73,;6.13,6.22,;4.79,6.99,;10.06,5.56,;10.87,4.25,;10.79,6.91,;.07,9.54,;1.56,9.15,;2.65,10.23,;2.25,11.72,;.76,12.12,;-.33,11.03,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339906
((2S)-Tetrahydrofuran-2-ylmethyl 5-({(3S)-1-[(trans...)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1 |r,wU:15.45,4.3,wD:7.10,16.18,1.0,(4.65,-39.21,;3.18,-38.73,;2.04,-39.76,;2.36,-41.27,;2.86,-37.22,;1.4,-36.75,;1.08,-35.24,;2.22,-34.21,;3.69,-34.69,;4.01,-36.19,;1.9,-32.7,;.44,-32.23,;3.05,-31.67,;4.55,-31.99,;5.32,-30.66,;4.29,-29.52,;2.89,-30.14,;1.55,-29.37,;1.55,-27.83,;.22,-30.14,;-1.12,-29.37,;-1.12,-27.83,;-2.45,-27.06,;-3.78,-27.83,;-5.25,-27.36,;-6.15,-28.6,;-5.25,-29.85,;-3.78,-29.37,;-2.45,-30.14,;-7.69,-28.6,;-8.46,-29.94,;-8.46,-27.27,;-10,-27.27,;-10.77,-25.94,;-9.23,-28.6,;-10.77,-28.6,;-12.31,-28.6,;-13.08,-29.94,;-12.31,-31.27,;-10.77,-31.27,;-10,-29.94,;4.61,-28.01,;3.47,-26.98,;3.79,-25.47,;5.25,-25,;6.4,-26.03,;6.08,-27.53,)| Show InChI InChI=1S/C35H37FN4O6S/c36-21-29(37)23-11-13-24(14-12-23)35(43)40-18-17-28(22-7-3-1-4-8-22)32(40)34(42)38-26-15-16-30-25(19-26)20-31(46-30)33(41)39-47(44,45)27-9-5-2-6-10-27/h1-10,15-16,19-20,23-24,28-29,32H,11-14,17-18,21,37H2,(H,38,42)(H,39,41)/t23-,24-,28-,29-,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339893
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(F)c2c1)C1CCCCC1 |r,wU:7.10,15.36,16.18,wD:4.3,(-9.64,20.86,;-8.3,20.09,;-8.3,18.55,;-9.64,17.78,;-6.97,20.86,;-5.64,20.09,;-4.3,20.86,;-4.3,22.4,;-5.64,23.17,;-6.97,22.4,;-2.97,23.17,;-1.64,22.4,;-2.97,24.71,;-4.21,25.61,;-3.74,27.08,;-2.2,27.08,;-1.72,25.61,;-.39,24.84,;-.39,23.3,;.94,25.61,;2.28,24.84,;2.28,23.3,;3.61,22.53,;4.95,23.3,;6.41,22.83,;7.32,24.07,;8.86,24.07,;9.63,25.41,;9.63,22.74,;6.41,25.32,;6.89,26.78,;4.95,24.84,;3.61,25.61,;-1.43,28.41,;.11,28.41,;.88,29.74,;.13,31.19,;-1.43,31.08,;-2.2,29.74,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339910
(US9758480, 134)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccn2)c(F)c1)C1CCCCC1 |r,wU:16.18,15.42,7.10,1.0,wD:4.3,(-11.29,-28.71,;-9.96,-29.48,;-9.96,-31.02,;-11.29,-31.79,;-8.62,-28.71,;-7.29,-29.48,;-5.96,-28.71,;-5.96,-27.17,;-7.29,-26.4,;-8.62,-27.17,;-4.62,-26.4,;-3.29,-27.17,;-4.62,-24.86,;-5.87,-23.95,;-5.39,-22.49,;-3.85,-22.49,;-3.38,-23.95,;-2.04,-24.72,;-2.04,-26.26,;-.71,-23.95,;.62,-24.72,;.62,-26.26,;1.96,-27.03,;3.29,-26.26,;4.62,-27.03,;4.62,-28.57,;5.96,-26.26,;7.29,-27.03,;6.52,-28.36,;8.06,-28.36,;8.62,-26.26,;9.96,-27.03,;11.29,-26.26,;11.29,-24.72,;9.96,-23.95,;8.62,-24.72,;3.29,-24.72,;4.62,-23.95,;1.96,-23.95,;-2.77,-21.4,;-3.16,-19.91,;-2.07,-18.82,;-.59,-19.22,;-.19,-20.71,;-1.28,-21.8,)| Show InChI InChI=1S/C32H41F2N5O5S/c33-19-27(35)21-9-11-22(12-10-21)32(42)39-17-15-24(20-6-2-1-3-7-20)29(39)31(41)37-23-13-14-25(26(34)18-23)30(40)38-45(43,44)28-8-4-5-16-36-28/h4-5,8,13-14,16,18,20-22,24,27,29H,1-3,6-7,9-12,15,17,19,35H2,(H,37,41)(H,38,40)/t21-,22-,24-,27+,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339921
(US9758480, 186 | tert-Butyl [(1S)-1-(trans-4-{[(2S...)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)c1ccccc1 |r,wU:7.10,15.36,16.18,1.0,wD:4.3,(-21.63,-2.93,;-20.29,-3.7,;-20.29,-5.24,;-21.63,-6.01,;-18.96,-2.93,;-17.63,-3.7,;-16.29,-2.93,;-16.29,-1.39,;-17.63,-.62,;-18.96,-1.39,;-14.96,-.62,;-13.63,-1.39,;-14.96,.92,;-16.21,1.82,;-15.73,3.29,;-14.19,3.29,;-13.71,1.82,;-12.38,1.05,;-12.38,-.49,;-11.05,1.82,;-9.71,1.05,;-9.71,-.49,;-8.38,-1.26,;-7.05,-.49,;-5.54,-.98,;-4.61,.31,;-3.02,.31,;-2.23,1.68,;-2.23,-1.07,;-5.54,1.59,;-4.81,2.86,;-7.05,1.1,;-8.38,1.82,;-13.42,4.62,;-11.88,4.62,;-11.11,5.96,;-11.88,7.29,;-13.42,7.29,;-14.19,5.96,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339891
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)Show SMILES Cc1c([nH]c2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)C(N)CF)C3CCCCC3)cc12)C(O)=O |r,wU:18.18,12.29,11.10,wD:21.25,(6.89,26.78,;6.41,25.32,;7.32,24.07,;6.41,22.83,;4.95,23.3,;3.61,22.53,;2.28,23.3,;2.28,24.84,;.94,25.61,;-.39,24.84,;-.39,23.3,;-1.72,25.61,;-2.2,27.08,;-3.74,27.08,;-4.21,25.61,;-2.97,24.71,;-2.97,23.17,;-1.64,22.4,;-4.3,22.4,;-4.3,20.86,;-5.64,20.09,;-6.97,20.86,;-6.97,22.4,;-5.64,23.17,;-8.3,20.09,;-9.64,20.86,;-8.3,18.55,;-9.64,17.78,;-1.43,28.41,;.11,28.41,;.88,29.74,;.13,31.19,;-1.43,31.08,;-2.2,29.74,;3.61,25.61,;4.95,24.84,;8.86,24.07,;9.63,25.41,;9.63,22.74,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339905
(US9758480, 118)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1 |r,wU:15.45,4.3,wD:7.10,16.18,1.0,(4.65,-39.21,;3.18,-38.73,;2.04,-39.76,;2.36,-41.27,;2.86,-37.22,;1.4,-36.75,;1.08,-35.24,;2.22,-34.21,;3.69,-34.69,;4.01,-36.19,;1.9,-32.7,;.44,-32.23,;3.05,-31.67,;4.55,-31.99,;5.32,-30.66,;4.29,-29.52,;2.89,-30.14,;1.55,-29.37,;1.55,-27.83,;.22,-30.14,;-1.12,-29.37,;-1.12,-27.83,;-2.45,-27.06,;-3.78,-27.83,;-5.25,-27.36,;-6.15,-28.6,;-5.25,-29.85,;-3.78,-29.37,;-2.45,-30.14,;-7.69,-28.6,;-8.46,-29.94,;-8.46,-27.27,;-10,-27.27,;-10.77,-25.94,;-9.23,-28.6,;-10.77,-28.6,;-12.31,-28.6,;-13.08,-29.94,;-12.31,-31.27,;-10.77,-31.27,;-10,-29.94,;4.61,-28.01,;3.47,-26.98,;3.79,-25.47,;5.25,-25,;6.4,-26.03,;6.08,-27.53,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339912
(US9758480, 138)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)NC1=CN2C(Cl)C(N=C2C=C1)C(O)=O)C1CCCCC1 |r,wU:16.18,15.36,7.10,1.0,wD:4.3,c:28,31,t:22,(-11.29,-28.71,;-9.96,-29.48,;-9.96,-31.02,;-11.29,-31.79,;-8.62,-28.71,;-7.29,-29.48,;-5.96,-28.71,;-5.96,-27.17,;-7.29,-26.4,;-8.62,-27.17,;-4.62,-26.4,;-3.29,-27.17,;-4.62,-24.86,;-5.87,-23.95,;-5.39,-22.49,;-3.85,-22.49,;-3.38,-23.95,;-2.04,-24.72,;-2.04,-26.26,;-.71,-23.95,;.62,-24.72,;1.96,-23.95,;3.29,-24.72,;4.75,-24.25,;5.23,-22.78,;5.66,-25.49,;4.75,-26.74,;3.29,-26.26,;1.96,-27.03,;.62,-26.26,;7.2,-25.49,;7.97,-26.82,;7.97,-24.16,;-2.77,-21.4,;-3.16,-19.91,;-2.07,-18.82,;-.59,-19.22,;-.19,-20.71,;-1.28,-21.8,)| Show InChI InChI=1S/C28H39ClFN5O4/c29-25-23(28(38)39)33-22-11-10-19(15-35(22)25)32-26(36)24-20(16-4-2-1-3-5-16)12-13-34(24)27(37)18-8-6-17(7-9-18)21(31)14-30/h10-11,15-18,20-21,23-25H,1-9,12-14,31H2,(H,32,36)(H,38,39)/t17-,18-,20-,21+,23?,24-,25?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339917
(US9758480, 170)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccccc1 |r,wU:7.10,16.18,1.0,wD:15.35,4.3,(-.96,-15.03,;.37,-15.8,;.37,-17.34,;-.96,-18.11,;1.71,-15.03,;3.04,-15.8,;4.37,-15.03,;4.37,-13.49,;3.04,-12.72,;1.71,-13.49,;5.71,-12.72,;7.04,-13.49,;5.71,-11.18,;4.46,-10.27,;4.94,-8.81,;6.48,-8.81,;6.95,-10.27,;8.29,-11.04,;8.29,-12.58,;9.62,-10.27,;10.95,-11.04,;10.95,-12.58,;12.29,-13.35,;13.62,-12.58,;15.09,-13.06,;15.99,-11.81,;15.09,-10.57,;13.62,-11.04,;12.29,-10.27,;17.53,-11.81,;18.3,-13.15,;18.3,-10.48,;7.25,-7.47,;8.79,-7.47,;9.56,-6.14,;8.79,-4.81,;7.25,-4.81,;6.48,-6.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339887
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)Show SMILES Cn1c(cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)C(N)CF)C3CCCCC3)ccc12)C(O)=O |r,wU:17.17,11.28,10.9,wD:20.24,(6.89,6.47,;6.41,7.93,;7.32,9.18,;6.41,10.42,;4.95,9.95,;3.61,10.72,;2.28,9.95,;.94,10.72,;-.39,9.95,;-.39,8.41,;-1.72,10.72,;-2.2,12.18,;-3.74,12.18,;-4.21,10.72,;-2.97,9.81,;-2.97,8.27,;-1.64,7.5,;-4.3,7.5,;-4.3,5.96,;-5.64,5.19,;-6.97,5.96,;-6.97,7.5,;-5.64,8.27,;-8.3,5.19,;-9.64,5.96,;-8.3,3.65,;-9.64,2.88,;-1.43,13.52,;.11,13.52,;.88,14.85,;.11,16.18,;-1.43,16.18,;-2.2,14.85,;2.28,8.41,;3.61,7.64,;4.95,8.41,;8.86,9.18,;9.63,10.51,;9.63,7.84,)| Show InChI InChI=1S/C30H41FN4O4/c1-34-25-12-11-22(15-21(25)16-26(34)30(38)39)33-28(36)27-23(18-5-3-2-4-6-18)13-14-35(27)29(37)20-9-7-19(8-10-20)24(32)17-31/h11-12,15-16,18-20,23-24,27H,2-10,13-14,17,32H2,1H3,(H,33,36)(H,38,39)/t19-,20-,23-,24?,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339895
(US9758480, 50)Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1 |r,wU:7.10,16.18,wD:15.35,4.3,(-9.53,-11.25,;-8.19,-12.02,;-8.19,-13.56,;-9.53,-14.33,;-6.86,-11.25,;-5.53,-12.02,;-4.19,-11.25,;-4.19,-9.71,;-5.53,-8.94,;-6.86,-9.71,;-2.86,-8.94,;-1.53,-9.71,;-2.86,-7.4,;-4.11,-6.49,;-3.63,-5.03,;-2.09,-5.03,;-1.61,-6.49,;-.28,-7.26,;-.28,-8.8,;1.05,-6.49,;2.39,-7.26,;2.39,-8.8,;3.72,-9.57,;5.05,-8.8,;6.52,-9.28,;7.42,-8.03,;6.52,-6.79,;5.05,-7.26,;3.72,-6.49,;8.96,-8.03,;9.73,-6.7,;9.73,-9.37,;-1.32,-3.7,;.22,-3.7,;.99,-2.36,;.22,-1.03,;-1.32,-1.03,;-2.09,-2.36,)| Show InChI InChI=1S/C29H38FN3O5/c30-16-23(31)18-6-8-19(9-7-18)28(35)33-13-12-22(17-4-2-1-3-5-17)26(33)27(34)32-21-10-11-24-20(14-21)15-25(38-24)29(36)37/h10-11,14-15,17-19,22-23,26H,1-9,12-13,16,31H2,(H,32,34)(H,36,37)/t18-,19-,22-,23?,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339894
(5-[(2S,3R)-1-{trans-4-[1-(tert-Butoxycarbonylamino...)Show SMILES CC(N)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)c1ccccc1 |r,wU:6.9,15.17,wD:14.34,3.2,(-8.19,-13.56,;-8.19,-12.02,;-9.53,-11.25,;-6.86,-11.25,;-5.53,-12.02,;-4.19,-11.25,;-4.19,-9.71,;-5.53,-8.94,;-6.86,-9.71,;-2.86,-8.94,;-1.53,-9.71,;-2.86,-7.4,;-4.11,-6.49,;-3.63,-5.03,;-2.09,-5.03,;-1.61,-6.49,;-.28,-7.26,;-.28,-8.8,;1.05,-6.49,;2.39,-7.26,;2.39,-8.8,;3.72,-9.57,;5.05,-8.8,;6.52,-9.28,;7.42,-8.03,;6.52,-6.79,;5.05,-7.26,;3.72,-6.49,;8.96,-8.03,;9.73,-6.7,;9.73,-9.37,;-1.32,-3.7,;.22,-3.7,;.99,-2.36,;.22,-1.03,;-1.32,-1.03,;-2.09,-2.36,)| Show InChI InChI=1S/C29H33N3O5/c1-17(30)18-7-9-20(10-8-18)28(34)32-14-13-23(19-5-3-2-4-6-19)26(32)27(33)31-22-11-12-24-21(15-22)16-25(37-24)29(35)36/h2-6,11-12,15-18,20,23,26H,7-10,13-14,30H2,1H3,(H,31,33)(H,35,36)/t17?,18-,20-,23-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339900
(US9758480, 102)Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF |r,wU:30.33,8.8,12.14,36.41,2.1,wD:33.40,(8.57,.19,;9.34,-1.14,;8.57,-2.48,;9.34,-3.81,;8.57,-5.14,;7.03,-5.14,;6.26,-3.81,;7.03,-2.48,;6.26,-6.48,;4.72,-6.48,;4.24,-7.94,;5.49,-8.85,;6.73,-7.94,;8.06,-8.71,;8.06,-10.25,;9.4,-7.94,;10.73,-8.71,;10.73,-10.25,;12.07,-11.02,;13.4,-10.25,;14.86,-10.73,;15.77,-9.48,;14.86,-8.24,;13.4,-8.71,;12.07,-7.94,;17.31,-9.48,;18.08,-10.82,;18.08,-8.15,;5.49,-10.39,;6.82,-11.16,;4.15,-11.16,;4.15,-12.7,;2.82,-13.47,;1.48,-12.7,;1.48,-11.16,;2.82,-10.39,;.15,-13.47,;-1.18,-12.7,;.15,-15.01,;-1.18,-15.78,)| Show InChI InChI=1S/C30H40FN3O6/c1-39-22-9-6-17(7-10-22)23-12-13-34(29(36)19-4-2-18(3-5-19)24(32)16-31)27(23)28(35)33-21-8-11-25-20(14-21)15-26(40-25)30(37)38/h8,11,14-15,17-19,22-24,27H,2-7,9-10,12-13,16,32H2,1H3,(H,33,35)(H,37,38)/t17?,18-,19-,22-,23-,24+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339898
(US9758480, 96)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(cc1)C(O)=O)C1CCCCC1 |r,wU:7.10,15.31,16.18,1.0,wD:4.3,(-1.18,-12.7,;.15,-13.47,;.15,-15.01,;-1.18,-15.78,;1.48,-12.7,;2.82,-13.47,;4.15,-12.7,;4.15,-11.16,;2.82,-10.39,;1.48,-11.16,;5.49,-10.39,;6.82,-11.16,;5.49,-8.85,;4.24,-7.94,;4.72,-6.48,;6.26,-6.48,;6.73,-7.94,;8.06,-8.71,;8.06,-10.25,;9.4,-7.94,;10.73,-8.71,;12.07,-7.94,;13.4,-8.71,;13.4,-10.25,;12.07,-11.02,;10.73,-10.25,;14.73,-11.02,;14.73,-12.56,;16.07,-10.25,;7.03,-5.14,;8.57,-5.14,;9.34,-3.81,;8.57,-2.48,;7.03,-2.48,;6.26,-3.81,)| Show InChI InChI=1S/C27H38FN3O4/c28-16-23(29)18-6-8-19(9-7-18)26(33)31-15-14-22(17-4-2-1-3-5-17)24(31)25(32)30-21-12-10-20(11-13-21)27(34)35/h10-13,17-19,22-24H,1-9,14-16,29H2,(H,30,32)(H,34,35)/t18-,19-,22-,23+,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339909
(US9758480, 133)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccc2)c(F)c1)C1CCCCC1 |r,wU:16.18,15.42,7.10,1.0,wD:4.3,(-11.29,-28.71,;-9.96,-29.48,;-9.96,-31.02,;-11.29,-31.79,;-8.62,-28.71,;-7.29,-29.48,;-5.96,-28.71,;-5.96,-27.17,;-7.29,-26.4,;-8.62,-27.17,;-4.62,-26.4,;-3.29,-27.17,;-4.62,-24.86,;-5.87,-23.95,;-5.39,-22.49,;-3.85,-22.49,;-3.38,-23.95,;-2.04,-24.72,;-2.04,-26.26,;-.71,-23.95,;.62,-24.72,;.62,-26.26,;1.96,-27.03,;3.29,-26.26,;4.62,-27.03,;4.62,-28.57,;5.96,-26.26,;7.29,-27.03,;6.52,-28.36,;8.06,-28.36,;8.62,-26.26,;9.96,-27.03,;11.29,-26.26,;11.29,-24.72,;9.96,-23.95,;8.62,-24.72,;3.29,-24.72,;4.62,-23.95,;1.96,-23.95,;-2.77,-21.4,;-3.16,-19.91,;-2.07,-18.82,;-.59,-19.22,;-.19,-20.71,;-1.28,-21.8,)| Show InChI InChI=1S/C33H42F2N4O5S/c34-20-29(36)22-11-13-23(14-12-22)33(42)39-18-17-26(21-7-3-1-4-8-21)30(39)32(41)37-24-15-16-27(28(35)19-24)31(40)38-45(43,44)25-9-5-2-6-10-25/h2,5-6,9-10,15-16,19,21-23,26,29-30H,1,3-4,7-8,11-14,17-18,20,36H2,(H,37,41)(H,38,40)/t22-,23-,26-,29+,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339874
(5-{cis-1-[trans-4-(Aminomethyl)cyclohexanecarbonyl...)Show SMILES CN(C(=O)C1C(CCN1C(=O)[C@H]1CC[C@H](CN)CC1)c1ccccc1)c1ccc2[nH]c(cc2c1)C(O)=O |r,wU:14.15,wD:11.11,(-.4,.31,;-.4,-1.23,;.94,-2,;.94,-3.54,;2.27,-1.23,;3.68,-1.86,;4.71,-.72,;3.94,.62,;2.43,.3,;1.29,1.33,;-.18,.85,;1.61,2.83,;3.07,3.31,;3.39,4.82,;2.25,5.85,;2.57,7.35,;4.03,7.83,;.78,5.37,;.46,3.86,;4,-3.37,;2.85,-4.4,;3.17,-5.9,;4.64,-6.38,;5.78,-5.35,;5.46,-3.84,;-1.73,-2,;-1.73,-3.54,;-3.07,-4.31,;-4.4,-3.54,;-5.86,-4.02,;-6.77,-2.77,;-5.86,-1.53,;-4.4,-2,;-3.07,-1.23,;-8.31,-2.77,;-9.08,-4.11,;-9.08,-1.44,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339876
(US9758480, 14 | tert-Butyl trans-4-{cis-2-[3-fluor...)Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)c(F)c1)c1ccccc1 |r,wU:5.8,13.34,14.16,wD:2.1,(-9.81,-12.16,;-8.48,-12.93,;-7.14,-12.16,;-5.81,-12.93,;-4.48,-12.16,;-4.48,-10.62,;-5.81,-9.85,;-7.14,-10.62,;-3.14,-9.85,;-1.81,-10.62,;-3.14,-8.31,;-4.39,-7.41,;-3.91,-5.94,;-2.37,-5.94,;-1.9,-7.41,;-.56,-8.18,;-.56,-9.72,;.77,-7.41,;2.11,-8.18,;2.11,-9.72,;3.44,-10.49,;4.77,-9.72,;6.11,-10.49,;7.57,-10.01,;8.48,-11.26,;9.81,-10.49,;7.57,-12.5,;6.11,-12.03,;4.77,-8.18,;6.2,-7.36,;3.44,-7.41,;-1.6,-4.61,;-.11,-5.01,;.97,-3.92,;.58,-2.43,;-.91,-2.03,;-2,-3.12,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339916
(US9758480, 148)Show SMILES COC(=O)Nc1nc2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)cc2s1 |r,wU:21.21,15.32,14.13,27.29,wD:24.28,(-10.07,-11.09,;-8.53,-11.09,;-7.76,-9.76,;-6.22,-9.76,;-8.53,-8.43,;-10.07,-8.43,;-10.98,-9.67,;-12.44,-9.2,;-13.77,-9.97,;-15.11,-9.2,;-15.11,-7.66,;-16.44,-6.89,;-17.78,-7.66,;-17.78,-9.2,;-19.11,-6.89,;-19.59,-5.42,;-21.13,-5.42,;-21.6,-6.89,;-20.36,-7.79,;-20.36,-9.33,;-19.02,-10.1,;-21.69,-10.1,;-21.69,-11.64,;-23.02,-12.41,;-24.36,-11.64,;-24.36,-10.1,;-23.02,-9.33,;-25.69,-12.41,;-27.02,-11.64,;-25.69,-13.95,;-27.02,-14.72,;-18.82,-4.09,;-17.28,-4.09,;-16.51,-2.75,;-17.28,-1.42,;-18.82,-1.42,;-19.59,-2.75,;-13.77,-6.89,;-12.44,-7.66,;-10.98,-7.18,)| Show InChI InChI=1S/C29H40FN5O4S/c1-39-29(38)34-28-33-23-12-11-20(15-24(23)40-28)32-26(36)25-21(17-5-3-2-4-6-17)13-14-35(25)27(37)19-9-7-18(8-10-19)22(31)16-30/h11-12,15,17-19,21-22,25H,2-10,13-14,16,31H2,1H3,(H,32,36)(H,33,34,38)/t18-,19-,21-,22+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339902
(US9758480, 113)Show SMILES Cc1c([nH]c2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)cc12)C(O)=O |r,wU:18.18,12.29,11.10,24.26,wD:21.25,(15.34,-6.77,;14.86,-8.24,;15.77,-9.48,;14.86,-10.73,;13.4,-10.25,;12.07,-11.02,;10.73,-10.25,;10.73,-8.71,;9.4,-7.94,;8.06,-8.71,;8.06,-10.25,;6.73,-7.94,;6.26,-6.48,;4.72,-6.48,;4.24,-7.94,;5.49,-8.85,;5.49,-10.39,;6.82,-11.16,;4.15,-11.16,;4.15,-12.7,;2.82,-13.47,;1.48,-12.7,;1.48,-11.16,;2.82,-10.39,;.15,-13.47,;-1.18,-12.7,;.15,-15.01,;-1.18,-15.78,;7.03,-5.14,;8.57,-5.14,;9.34,-3.81,;8.57,-2.48,;7.03,-2.48,;6.26,-3.81,;12.07,-7.94,;13.4,-8.71,;17.31,-9.48,;18.08,-10.82,;18.08,-8.15,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339908
(4-Methoxybutyl 5-({(3S)-1-[(trans-4-{(1S)-1-[(tert...)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2sc(cc2c1)C(O)=O)C1CCCCC1 |r,wU:15.35,4.3,wD:7.10,16.18,1.0,(4.65,-39.21,;3.18,-38.73,;2.04,-39.76,;2.36,-41.27,;2.86,-37.22,;1.4,-36.75,;1.08,-35.24,;2.22,-34.21,;3.69,-34.69,;4.01,-36.19,;1.9,-32.7,;.44,-32.23,;3.05,-31.67,;4.55,-31.99,;5.32,-30.66,;4.29,-29.52,;2.89,-30.14,;1.55,-29.37,;1.55,-27.83,;.22,-30.14,;-1.12,-29.37,;-1.12,-27.83,;-2.45,-27.06,;-3.78,-27.83,;-5.25,-27.36,;-6.15,-28.6,;-5.25,-29.85,;-3.78,-29.37,;-2.45,-30.14,;-7.69,-28.6,;-8.46,-27.27,;-8.46,-29.94,;4.61,-28.01,;3.47,-26.98,;3.79,-25.47,;5.25,-25,;6.4,-26.03,;6.08,-27.53,)| Show InChI InChI=1S/C29H38FN3O4S/c30-16-23(31)18-6-8-19(9-7-18)28(35)33-13-12-22(17-4-2-1-3-5-17)26(33)27(34)32-21-10-11-24-20(14-21)15-25(38-24)29(36)37/h10-11,14-15,17-19,22-23,26H,1-9,12-13,16,31H2,(H,32,34)(H,36,37)/t18-,19-,22-,23-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339915
(US9758480, 147)Show SMILES CS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1 |r,wU:21.21,15.32,14.13,27.29,wD:24.28,(-7.11,-10.74,;-8.44,-9.97,;-8.44,-11.51,;-7.11,-9.2,;-9.77,-9.2,;-11.11,-9.97,;-11.11,-11.51,;-12.44,-9.2,;-12.44,-7.66,;-13.77,-6.89,;-15.11,-7.66,;-16.44,-6.89,;-17.78,-7.66,;-17.78,-9.2,;-19.11,-6.89,;-19.59,-5.42,;-21.13,-5.42,;-21.6,-6.89,;-20.36,-7.79,;-20.36,-9.33,;-19.02,-10.1,;-21.69,-10.1,;-21.69,-11.64,;-23.02,-12.41,;-24.36,-11.64,;-24.36,-10.1,;-23.02,-9.33,;-25.69,-12.41,;-27.02,-11.64,;-25.69,-13.95,;-27.02,-14.72,;-18.82,-4.09,;-17.28,-4.09,;-16.51,-2.75,;-17.28,-1.42,;-18.82,-1.42,;-19.59,-2.75,;-15.11,-9.2,;-13.77,-9.97,)| Show InChI InChI=1S/C28H41FN4O5S/c1-39(37,38)32-26(34)20-11-13-22(14-12-20)31-27(35)25-23(18-5-3-2-4-6-18)15-16-33(25)28(36)21-9-7-19(8-10-21)24(30)17-29/h11-14,18-19,21,23-25H,2-10,15-17,30H2,1H3,(H,31,35)(H,32,34)/t19-,21-,23-,24+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339897
(US9758480, 55)Show SMILES Cc1c(oc2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)cc12)C(O)=O |r,wU:12.29,11.10,18.18,24.26,wD:21.25,(3.72,1.62,;3.24,.16,;4.14,-1.09,;3.24,-2.33,;1.77,-1.86,;.44,-2.63,;-.89,-1.86,;-.89,-.32,;-2.23,.45,;-3.56,-.32,;-3.56,-1.86,;-4.89,.45,;-5.37,1.92,;-6.91,1.92,;-7.38,.45,;-6.14,-.49,;-6.14,-2.03,;-4.81,-2.8,;-7.47,-2.8,;-7.47,-4.37,;-8.83,-5.15,;-10.18,-4.37,;-10.18,-2.8,;-8.83,-2.02,;-11.54,-5.15,;-12.89,-4.37,;-11.54,-6.71,;-12.89,-7.49,;-4.6,3.25,;-3.06,3.25,;-2.29,4.59,;-3.06,5.92,;-4.6,5.92,;-5.37,4.59,;.44,.45,;1.77,-.32,;5.68,-1.09,;6.45,.25,;6.45,-2.42,)| Show InChI InChI=1S/C30H40FN3O5/c1-17-23-15-21(11-12-25(23)39-27(17)30(37)38)33-28(35)26-22(18-5-3-2-4-6-18)13-14-34(26)29(36)20-9-7-19(8-10-20)24(32)16-31/h11-12,15,18-20,22,24,26H,2-10,13-14,16,32H2,1H3,(H,33,35)(H,37,38)/t19-,20-,22-,24+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339922
((3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)ami...)Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(C(O)=O)c(Cl)c2c1)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF |r,wU:31.34,8.8,12.14,37.42,2.1,wD:34.41,(-11.88,9.96,;-11.11,8.62,;-11.88,7.29,;-11.11,5.96,;-11.88,4.62,;-13.42,4.62,;-14.19,5.96,;-13.42,7.29,;-14.19,3.29,;-15.73,3.29,;-16.21,1.82,;-14.96,.92,;-13.71,1.82,;-12.38,1.05,;-12.38,-.49,;-11.05,1.82,;-9.71,1.05,;-9.71,-.49,;-8.38,-1.26,;-7.05,-.49,;-5.54,-.98,;-4.61,.31,;-3.02,.31,;-2.23,1.68,;-2.23,-1.07,;-5.54,1.59,;-4.81,2.86,;-7.05,1.1,;-8.38,1.82,;-14.96,-.62,;-13.63,-1.39,;-16.29,-1.39,;-16.29,-2.93,;-17.63,-3.7,;-18.96,-2.93,;-18.96,-1.39,;-17.63,-.62,;-20.29,-3.7,;-21.63,-2.93,;-20.29,-5.24,;-21.63,-6.01,)| Show InChI InChI=1S/C30H39ClFN3O6/c1-40-20-9-6-16(7-10-20)21-12-13-35(29(37)18-4-2-17(3-5-18)23(33)15-32)26(21)28(36)34-19-8-11-24-22(14-19)25(31)27(41-24)30(38)39/h8,11,14,16-18,20-21,23,26H,2-7,9-10,12-13,15,33H2,1H3,(H,34,36)(H,38,39)/t16?,17-,18-,20-,21-,23+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339918
((2S)-2-Methoxypropyl 5-{[(3R)-1-[(trans-4-{(1S)-1-...)Show SMILES Cc1oc(=O)oc1COC(=O)c1cc2cc(NC(=O)[C@@H]3[C@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)c3ccccc3)ccc2[nH]1 |r,wU:26.27,19.19,32.35,wD:20.38,29.34,(23.18,-13.5,;22.14,-14.64,;22.46,-16.15,;21.13,-16.92,;20.97,-18.45,;19.99,-15.89,;20.61,-14.48,;19.84,-13.15,;18.3,-13.15,;17.53,-11.81,;18.3,-10.48,;15.99,-11.81,;15.09,-10.57,;13.62,-11.04,;12.29,-10.27,;10.96,-11.04,;9.62,-10.27,;8.29,-11.04,;8.29,-12.58,;6.95,-10.27,;6.48,-8.81,;4.94,-8.81,;4.46,-10.27,;5.71,-11.18,;5.71,-12.72,;7.04,-13.49,;4.38,-13.49,;4.38,-15.03,;3.04,-15.8,;1.71,-15.03,;1.71,-13.49,;3.04,-12.72,;.37,-15.8,;-.96,-15.03,;.37,-17.34,;-.96,-18.11,;7.25,-7.48,;8.79,-7.48,;9.56,-6.14,;8.79,-4.81,;7.25,-4.81,;6.48,-6.14,;10.96,-12.58,;12.29,-13.35,;13.62,-12.58,;15.09,-13.06,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339911
(US9758480, 137)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(F)c1)C1CCCCC1 |r,wU:16.18,15.40,7.10,1.0,wD:4.3,(-11.29,-28.71,;-9.96,-29.48,;-9.96,-31.02,;-11.29,-31.79,;-8.62,-28.71,;-7.29,-29.48,;-5.96,-28.71,;-5.96,-27.17,;-7.29,-26.4,;-8.62,-27.17,;-4.62,-26.4,;-3.29,-27.17,;-4.62,-24.86,;-5.87,-23.95,;-5.39,-22.49,;-3.85,-22.49,;-3.38,-23.95,;-2.04,-24.72,;-2.04,-26.26,;-.71,-23.95,;.62,-24.72,;.62,-26.26,;1.96,-27.03,;3.29,-26.26,;4.62,-27.03,;4.62,-28.57,;5.96,-26.26,;7.29,-27.03,;8.62,-26.26,;9.96,-27.03,;11.29,-26.26,;11.29,-24.72,;9.96,-23.95,;8.62,-24.72,;3.29,-24.72,;4.62,-23.95,;1.96,-23.95,;-2.77,-21.4,;-3.16,-19.91,;-2.07,-18.82,;-.59,-19.22,;-.19,-20.71,;-1.28,-21.8,)| Show InChI InChI=1S/C34H44F2N4O3/c35-20-30(37)24-11-13-25(14-12-24)34(43)40-18-17-27(23-9-5-2-6-10-23)31(40)33(42)39-26-15-16-28(29(36)19-26)32(41)38-21-22-7-3-1-4-8-22/h1,3-4,7-8,15-16,19,23-25,27,30-31H,2,5-6,9-14,17-18,20-21,37H2,(H,38,41)(H,39,42)/t24-,25-,27-,30+,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339907
(US9758480, 122)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)NS(=O)(=O)N1CCOCC1)c1ccccc1 |r,wU:15.45,4.3,wD:7.10,16.18,1.0,(4.65,-39.21,;3.18,-38.73,;2.04,-39.76,;2.36,-41.27,;2.86,-37.22,;1.4,-36.75,;1.08,-35.24,;2.22,-34.21,;3.69,-34.69,;4.01,-36.19,;1.9,-32.7,;.44,-32.23,;3.05,-31.67,;4.55,-31.99,;5.32,-30.66,;4.29,-29.52,;2.89,-30.14,;1.55,-29.37,;1.55,-27.83,;.22,-30.14,;-1.12,-29.37,;-1.12,-27.83,;-2.45,-27.06,;-3.78,-27.83,;-5.25,-27.36,;-6.15,-28.6,;-5.25,-29.85,;-3.78,-29.37,;-2.45,-30.14,;-7.69,-28.6,;-8.46,-29.94,;-8.46,-27.27,;-10,-27.27,;-10.77,-25.94,;-9.23,-28.6,;-10.77,-28.6,;-12.31,-28.6,;-13.08,-29.94,;-12.31,-31.27,;-10.77,-31.27,;-10,-29.94,;4.61,-28.01,;3.47,-26.98,;3.79,-25.47,;5.25,-25,;6.4,-26.03,;6.08,-27.53,)| Show InChI InChI=1S/C33H40FN5O7S/c34-20-27(35)22-6-8-23(9-7-22)33(42)39-13-12-26(21-4-2-1-3-5-21)30(39)32(41)36-25-10-11-28-24(18-25)19-29(46-28)31(40)37-47(43,44)38-14-16-45-17-15-38/h1-5,10-11,18-19,22-23,26-27,30H,6-9,12-17,20,35H2,(H,36,41)(H,37,40)/t22-,23-,26-,27-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339914
(US9758480, 146)Show SMILES N[C@H](C(F)F)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1 |r,wU:8.11,16.36,17.19,1.0,wD:5.4,(-27.02,-11.64,;-25.69,-12.41,;-25.69,-13.95,;-27.02,-14.72,;-24.36,-14.72,;-24.36,-11.64,;-23.02,-12.41,;-21.69,-11.64,;-21.69,-10.1,;-23.02,-9.33,;-24.36,-10.1,;-20.36,-9.33,;-19.02,-10.1,;-20.36,-7.79,;-21.6,-6.89,;-21.13,-5.42,;-19.59,-5.42,;-19.11,-6.89,;-17.78,-7.66,;-17.78,-9.2,;-16.44,-6.89,;-15.11,-7.66,;-15.11,-9.2,;-13.77,-9.97,;-12.44,-9.2,;-10.98,-9.67,;-10.07,-8.43,;-10.98,-7.18,;-12.44,-7.66,;-13.77,-6.89,;-8.53,-8.43,;-7.76,-9.76,;-7.76,-7.09,;-18.82,-4.09,;-17.28,-4.09,;-16.51,-2.75,;-17.28,-1.42,;-18.82,-1.42,;-19.59,-2.75,)| Show InChI InChI=1S/C29H37F2N3O5/c30-26(31)24(32)17-6-8-18(9-7-17)28(36)34-13-12-21(16-4-2-1-3-5-16)25(34)27(35)33-20-10-11-22-19(14-20)15-23(39-22)29(37)38/h10-11,14-18,21,24-26H,1-9,12-13,32H2,(H,33,35)(H,37,38)/t17-,18-,21-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 916 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339904
(US9758480, 115)Show SMILES Cc1noc(n1)-c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1 |r,wU:20.21,14.32,13.13,26.29,wD:23.28,(18.82,-10.25,;17.36,-10.73,;16.88,-12.19,;15.34,-12.19,;14.86,-10.73,;16.11,-9.82,;13.4,-10.25,;13.4,-8.71,;12.07,-7.94,;10.73,-8.71,;9.4,-7.94,;8.06,-8.71,;8.06,-10.25,;6.73,-7.94,;6.26,-6.48,;4.72,-6.48,;4.24,-7.94,;5.49,-8.85,;5.49,-10.39,;6.82,-11.16,;4.15,-11.16,;4.15,-12.7,;2.82,-13.47,;1.48,-12.7,;1.48,-11.16,;2.82,-10.39,;.15,-13.47,;-1.18,-12.7,;.15,-15.01,;-1.18,-15.78,;7.03,-5.14,;8.57,-5.14,;9.34,-3.81,;8.57,-2.48,;7.03,-2.48,;6.26,-3.81,;10.73,-10.25,;12.07,-11.02,)| Show InChI InChI=1S/C29H40FN5O3/c1-18-32-28(38-34-18)21-11-13-23(14-12-21)33-27(36)26-24(19-5-3-2-4-6-19)15-16-35(26)29(37)22-9-7-20(8-10-22)25(31)17-30/h11-14,19-20,22,24-26H,2-10,15-17,31H2,1H3,(H,33,36)/t20-,22-,24-,25+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339901
(US9758480, 103)Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF |r,wU:30.33,8.8,12.14,36.41,wD:33.40,2.1,(8.57,.19,;9.34,-1.14,;8.57,-2.48,;7.03,-2.48,;6.26,-3.81,;7.03,-5.14,;8.57,-5.14,;9.34,-3.81,;6.26,-6.48,;4.72,-6.48,;4.24,-7.94,;5.49,-8.85,;6.73,-7.94,;8.06,-8.71,;8.06,-10.25,;9.4,-7.94,;10.73,-8.71,;10.73,-10.25,;12.07,-11.02,;13.4,-10.25,;14.86,-10.73,;15.77,-9.48,;14.86,-8.24,;13.4,-8.71,;12.07,-7.94,;17.31,-9.48,;18.08,-10.82,;18.08,-8.15,;5.49,-10.39,;6.82,-11.16,;4.15,-11.16,;4.15,-12.7,;2.82,-13.47,;1.48,-12.7,;1.48,-11.16,;2.82,-10.39,;.15,-13.47,;-1.18,-12.7,;.15,-15.01,;-1.18,-15.78,)| Show InChI InChI=1S/C30H40FN3O6/c1-39-22-9-6-17(7-10-22)23-12-13-34(29(36)19-4-2-18(3-5-19)24(32)16-31)27(23)28(35)33-21-8-11-25-20(14-21)15-26(40-25)30(37)38/h8,11,14-15,17-19,22-24,27H,2-7,9-10,12-13,16,32H2,1H3,(H,33,35)(H,37,38)/t17?,18-,19-,22-,23-,24+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339913
(3-Ethoxypropyl 5-({(3R)-1-[(trans-4-{(1S)-1-[(tert...)Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2cc(cc2c1)C(=O)OCC1CCOCC1)C1CCCCC1 |r,wU:7.10,15.43,16.18,1.0,wD:4.3,(-27.02,-11.64,;-25.69,-12.41,;-25.69,-13.95,;-27.02,-14.72,;-24.36,-11.64,;-23.02,-12.41,;-21.69,-11.64,;-21.69,-10.1,;-23.02,-9.33,;-24.36,-10.1,;-20.36,-9.33,;-19.02,-10.1,;-20.36,-7.79,;-21.6,-6.89,;-21.13,-5.42,;-19.59,-5.42,;-19.11,-6.89,;-17.78,-7.66,;-17.78,-9.2,;-16.44,-6.89,;-15.11,-7.66,;-15.11,-9.2,;-13.77,-9.97,;-12.44,-9.2,;-10.98,-9.67,;-10.07,-8.43,;-10.98,-7.18,;-12.44,-7.66,;-13.77,-6.89,;-8.53,-8.43,;-7.76,-7.09,;-7.76,-9.76,;-6.22,-9.76,;-5.45,-11.1,;-6.22,-12.44,;-5.44,-13.77,;-3.91,-13.77,;-3.13,-12.44,;-3.9,-11.1,;-18.82,-4.09,;-17.28,-4.09,;-16.51,-2.75,;-17.28,-1.42,;-18.82,-1.42,;-19.59,-2.75,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339923
(US9758480, 196)Show SMILES COCCOCCCOC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CC[C@@H](CC3)OC)ccc2o1 |r,wU:26.26,20.37,19.18,32.34,wD:29.33,39.44,(-6.85,9.68,;-5.31,9.68,;-4.54,8.35,;-3,8.35,;-2.23,7.01,;-3,5.68,;-2.23,4.35,;-3,3.01,;-2.23,1.68,;-3.02,.31,;-2.23,-1.07,;-4.61,.31,;-5.54,1.59,;-7.05,1.1,;-8.38,1.82,;-9.71,1.05,;-11.05,1.82,;-12.38,1.05,;-12.38,-.49,;-13.71,1.82,;-14.19,3.29,;-15.73,3.29,;-16.21,1.82,;-14.96,.92,;-14.96,-.62,;-13.63,-1.39,;-16.29,-1.39,;-16.29,-2.93,;-17.63,-3.7,;-18.96,-2.93,;-18.96,-1.39,;-17.63,-.62,;-20.29,-3.7,;-21.63,-2.93,;-20.29,-5.24,;-21.63,-6.01,;-13.42,4.62,;-14.19,5.96,;-13.42,7.29,;-11.88,7.29,;-11.11,5.96,;-11.88,4.62,;-11.11,8.62,;-11.88,9.96,;-9.71,-.49,;-8.38,-1.26,;-7.05,-.49,;-5.54,-.98,)| Show InChI InChI=1S/C36H52FN3O8/c1-44-18-19-46-16-3-17-47-36(43)32-21-26-20-27(10-13-31(26)48-32)39-34(41)33-29(23-8-11-28(45-2)12-9-23)14-15-40(33)35(42)25-6-4-24(5-7-25)30(38)22-37/h10,13,20-21,23-25,28-30,33H,3-9,11-12,14-19,22,38H2,1-2H3,(H,39,41)/t23?,24-,25-,28-,29-,30+,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM339924
(3-(Morpholin-4-yl)propyl 5-{[(3S)-1-[(trans-4-{(1S...)Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)OCC(C)C)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF |r,wU:34.37,8.8,12.14,40.45,wD:37.44,2.1,(-11.88,9.96,;-11.11,8.62,;-11.88,7.29,;-13.42,7.29,;-14.19,5.96,;-13.42,4.62,;-11.88,4.62,;-11.11,5.96,;-14.19,3.29,;-15.73,3.29,;-16.21,1.82,;-14.96,.92,;-13.71,1.82,;-12.38,1.05,;-12.38,-.49,;-11.05,1.82,;-9.71,1.05,;-9.71,-.49,;-8.38,-1.26,;-7.05,-.49,;-5.54,-.98,;-4.61,.31,;-5.54,1.59,;-7.05,1.1,;-8.38,1.82,;-3.02,.31,;-2.23,-1.07,;-2.23,1.68,;-3,3.01,;-2.23,4.35,;-3,5.68,;-.69,4.35,;-14.96,-.62,;-13.63,-1.39,;-16.29,-1.39,;-16.29,-2.93,;-17.63,-3.7,;-18.96,-2.93,;-18.96,-1.39,;-17.63,-.62,;-20.29,-3.7,;-21.63,-2.93,;-20.29,-5.24,;-21.63,-6.01,)| Show InChI InChI=1S/C34H48FN3O6/c1-20(2)19-43-34(41)30-17-24-16-25(10-13-29(24)44-30)37-32(39)31-27(21-8-11-26(42-3)12-9-21)14-15-38(31)33(40)23-6-4-22(5-7-23)28(36)18-35/h10,13,16-17,20-23,26-28,31H,4-9,11-12,14-15,18-19,36H2,1-3H3,(H,37,39)/t21?,22-,23-,26-,27-,28+,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SUMITOMO DAINIPPON PHARMA CO., LTD.
US Patent
| Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145... |
US Patent US9758480 (2017)
BindingDB Entry DOI: 10.7270/Q2D50Q33 |
More data for this
Ligand-Target Pair | |
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