Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50046904 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)) | BDBM50136575
(CHEMBL3752610)Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C31H27ClFN7O5/c1-17-14-23(17)29(42)35-20-6-2-18(3-7-20)15-25(30(43)36-21-8-4-19(5-9-21)31(44)45)37-27(41)13-10-22-26(40-16-34-38-39-40)12-11-24(32)28(22)33/h2-13,16-17,23,25H,14-15H2,1H3,(H,35,42)(H,36,43)(H,37,41)(H,44,45)/b13-10+/t17?,23?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136614
(CHEMBL3753020)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nnn[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C26H21ClN10O2/c27-20-9-12-23(37-16-28-33-36-37)19(15-20)8-13-24(38)30-22(14-17-4-2-1-3-5-17)26(39)29-21-10-6-18(7-11-21)25-31-34-35-32-25/h1-13,15-16,22H,14H2,(H,29,39)(H,30,38)(H,31,32,34,35)/b13-8+/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136579
(CHEMBL3754781)Show SMILES Oc1cc(=O)[nH]c2ccc(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H24ClN7O4/c29-20-7-9-24(36-16-31-34-35-36)18(13-20)10-11-30-28(40)23(12-17-4-2-1-3-5-17)33-27(39)19-6-8-22-21(14-19)25(37)15-26(38)32-22/h1-9,13-16,23H,10-12H2,(H,30,40)(H,33,39)(H2,32,37,38)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136570
(CHEMBL3752669)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C26H20ClFN6O4/c27-20-11-12-22(34-15-29-32-33-34)19(24(20)28)10-13-23(35)31-21(14-16-4-2-1-3-5-16)25(36)30-18-8-6-17(7-9-18)26(37)38/h1-13,15,21H,14H2,(H,30,36)(H,31,35)(H,37,38)/b13-10+/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136574
(CHEMBL3752266)Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C32H31ClFN9O5/c1-41-14-16-42(17-15-41)32(48)37-23-6-2-20(3-7-23)18-26(30(45)36-22-8-4-21(5-9-22)31(46)47)38-28(44)13-10-24-27(43-19-35-39-40-43)12-11-25(33)29(24)34/h2-13,19,26H,14-18H2,1H3,(H,36,45)(H,37,48)(H,38,44)(H,46,47)/b13-10+/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136573
(CHEMBL3752047)Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C32H32ClN9O5/c1-40-14-16-41(17-15-40)32(47)36-26-8-2-21(3-9-26)18-27(30(44)35-25-10-4-22(5-11-25)31(45)46)37-29(43)13-6-23-19-24(33)7-12-28(23)42-20-34-38-39-42/h2-13,19-20,27H,14-18H2,1H3,(H,35,44)(H,36,47)(H,37,43)(H,45,46)/b13-6+/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136618
(CHEMBL3752251)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H21ClN8O4/c28-20-9-12-23(36-16-29-34-35-36)19(15-20)8-13-24(37)31-22(14-17-4-2-1-3-5-17)26(38)30-21-10-6-18(7-11-21)25-32-27(39)40-33-25/h1-13,15-16,22H,14H2,(H,30,38)(H,31,37)(H,32,33,39)/b13-8+/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136608
(CHEMBL3754069)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C26H21ClN6O4/c27-20-9-12-23(33-16-28-31-32-33)19(15-20)8-13-24(34)30-22(14-17-4-2-1-3-5-17)25(35)29-21-10-6-18(7-11-21)26(36)37/h1-13,15-16,22H,14H2,(H,29,35)(H,30,34)(H,36,37)/b13-8+/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136578
(CHEMBL3752066)Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C27H26ClN7O4/c1-39-27(38)31-22-10-7-19(8-11-22)25(36)32-23(15-18-5-3-2-4-6-18)26(37)29-14-13-20-16-21(28)9-12-24(20)35-17-30-33-34-35/h2-12,16-17,23H,13-15H2,1H3,(H,29,37)(H,31,38)(H,32,36)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136616
(CHEMBL3752951)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2ncc[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C28H23ClN8O2/c29-22-9-12-25(37-18-32-35-36-37)21(17-22)8-13-26(38)34-24(16-19-4-2-1-3-5-19)28(39)33-23-10-6-20(7-11-23)27-30-14-15-31-27/h1-15,17-18,24H,16H2,(H,30,31)(H,33,39)(H,34,38)/b13-8+/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136619
(CHEMBL3754487)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)o2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H21ClN8O4/c28-20-9-12-23(36-16-29-34-35-36)19(15-20)8-13-24(37)31-22(14-17-4-2-1-3-5-17)25(38)30-21-10-6-18(7-11-21)26-32-33-27(39)40-26/h1-13,15-16,22H,14H2,(H,30,38)(H,31,37)(H,33,39)/b13-8+/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136581
(CHEMBL3754635)Show SMILES Nc1n[nH]c2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)ccc12 |r| Show InChI InChI=1S/C26H22ClN9O2/c27-18-7-10-23(36-15-29-34-35-36)17(13-18)6-11-24(37)31-22(12-16-4-2-1-3-5-16)26(38)30-19-8-9-20-21(14-19)32-33-25(20)28/h1-11,13-15,22H,12H2,(H,30,38)(H,31,37)(H3,28,32,33)/b11-6+/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136571
(CHEMBL3752830)Show SMILES CCCc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C29H27ClN6O4/c1-2-3-19-4-6-20(7-5-19)16-25(28(38)32-24-12-8-21(9-13-24)29(39)40)33-27(37)15-10-22-17-23(30)11-14-26(22)36-18-31-34-35-36/h4-15,17-18,25H,2-3,16H2,1H3,(H,32,38)(H,33,37)(H,39,40)/b15-10+/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136575
(CHEMBL3752610)Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C31H27ClFN7O5/c1-17-14-23(17)29(42)35-20-6-2-18(3-7-20)15-25(30(43)36-21-8-4-19(5-9-21)31(44)45)37-27(41)13-10-22-26(40-16-34-38-39-40)12-11-24(32)28(22)33/h2-13,16-17,23,25H,14-15H2,1H3,(H,35,42)(H,36,43)(H,37,41)(H,44,45)/b13-10+/t17?,23?,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136582
(CHEMBL3754712)Show SMILES Oc1cc(=O)[nH]c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)cc12 |r| Show InChI InChI=1S/C28H22ClN7O4/c29-19-7-10-24(36-16-30-34-35-36)18(13-19)6-11-26(38)33-23(12-17-4-2-1-3-5-17)28(40)31-20-8-9-22-21(14-20)25(37)15-27(39)32-22/h1-11,13-16,23H,12H2,(H,31,40)(H,33,38)(H2,32,37,39)/b11-6+/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136572
(CHEMBL3754443)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C32H25ClN6O4/c33-26-13-16-29(39-20-34-37-38-39)25(19-26)12-17-30(40)36-28(31(41)35-27-14-10-24(11-15-27)32(42)43)18-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-17,19-20,28H,18H2,(H,35,41)(H,36,40)(H,42,43)/b17-12+/t28-/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136617
(CHEMBL3753468)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nc[nH]n2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H22ClN9O2/c28-21-9-12-24(37-17-31-35-36-37)20(15-21)8-13-25(38)33-23(14-18-4-2-1-3-5-18)27(39)32-22-10-6-19(7-11-22)26-29-16-30-34-26/h1-13,15-17,23H,14H2,(H,32,39)(H,33,38)(H,29,30,34)/b13-8+/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136609
(CHEMBL3752772)Show SMILES OC(=O)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C27H23ClN6O4/c28-21-9-12-24(34-17-29-32-33-34)20(16-21)8-13-25(35)31-23(14-18-4-2-1-3-5-18)27(38)30-22-10-6-19(7-11-22)15-26(36)37/h1-13,16-17,23H,14-15H2,(H,30,38)(H,31,35)(H,36,37)/b13-8+/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136610
(CHEMBL3754262)Show SMILES NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C26H22ClN7O3/c27-20-9-12-23(34-16-29-32-33-34)19(15-20)8-13-24(35)31-22(14-17-4-2-1-3-5-17)26(37)30-21-10-6-18(7-11-21)25(28)36/h1-13,15-16,22H,14H2,(H2,28,36)(H,30,37)(H,31,35)/b13-8+/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136619
(CHEMBL3754487)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)o2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H21ClN8O4/c28-20-9-12-23(36-16-29-34-35-36)19(15-20)8-13-24(37)31-22(14-17-4-2-1-3-5-17)25(38)30-21-10-6-18(7-11-21)26-32-33-27(39)40-26/h1-13,15-16,22H,14H2,(H,30,38)(H,31,37)(H,33,39)/b13-8+/t22-/m0/s1 | PDB
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PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136614
(CHEMBL3753020)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nnn[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C26H21ClN10O2/c27-20-9-12-23(37-16-28-33-36-37)19(15-20)8-13-24(38)30-22(14-17-4-2-1-3-5-17)26(39)29-21-10-6-18(7-11-21)25-31-34-35-32-25/h1-13,15-16,22H,14H2,(H,29,39)(H,30,38)(H,31,32,34,35)/b13-8+/t22-/m0/s1 | PDB
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PDB
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| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136581
(CHEMBL3754635)Show SMILES Nc1n[nH]c2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)ccc12 |r| Show InChI InChI=1S/C26H22ClN9O2/c27-18-7-10-23(36-15-29-34-35-36)17(13-18)6-11-24(37)31-22(12-16-4-2-1-3-5-16)26(38)30-19-8-9-20-21(14-19)32-33-25(20)28/h1-11,13-15,22H,12H2,(H,30,38)(H,31,37)(H3,28,32,33)/b11-6+/t22-/m0/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136582
(CHEMBL3754712)Show SMILES Oc1cc(=O)[nH]c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)cc12 |r| Show InChI InChI=1S/C28H22ClN7O4/c29-19-7-10-24(36-16-30-34-35-36)18(13-19)6-11-26(38)33-23(12-17-4-2-1-3-5-17)28(40)31-20-8-9-22-21(14-20)25(37)15-27(39)32-22/h1-11,13-16,23H,12H2,(H,31,40)(H,33,38)(H2,32,37,39)/b11-6+/t23-/m0/s1 | PDB
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PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136618
(CHEMBL3752251)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H21ClN8O4/c28-20-9-12-23(36-16-29-34-35-36)19(15-20)8-13-24(37)31-22(14-17-4-2-1-3-5-17)26(38)30-21-10-6-18(7-11-21)25-32-27(39)40-33-25/h1-13,15-16,22H,14H2,(H,30,38)(H,31,37)(H,32,33,39)/b13-8+/t22-/m0/s1 | PDB
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PC sid
UniChem
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136580
(CHEMBL3753890)Show SMILES COC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C27H24ClN7O4/c1-39-27(38)31-22-11-9-21(10-12-22)30-26(37)23(15-18-5-3-2-4-6-18)32-25(36)14-7-19-16-20(28)8-13-24(19)35-17-29-33-34-35/h2-14,16-17,23H,15H2,1H3,(H,30,37)(H,31,38)(H,32,36)/b14-7+/t23-/m0/s1 | PDB
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Reactome pathway
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PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136615
(CHEMBL3751935)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-n2cnnn2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C26H21ClN10O2/c27-20-7-12-24(37-17-29-33-35-37)19(15-20)6-13-25(38)31-23(14-18-4-2-1-3-5-18)26(39)30-21-8-10-22(11-9-21)36-16-28-32-34-36/h1-13,15-17,23H,14H2,(H,30,39)(H,31,38)/b13-6+/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136570
(CHEMBL3752669)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C26H20ClFN6O4/c27-20-11-12-22(34-15-29-32-33-34)19(24(20)28)10-13-23(35)31-21(14-16-4-2-1-3-5-16)25(36)30-18-8-6-17(7-9-18)26(37)38/h1-13,15,21H,14H2,(H,30,36)(H,31,35)(H,37,38)/b13-10+/t21-/m0/s1 | PDB
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PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136613
(CHEMBL3753374)Show SMILES OC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C26H21ClN6O4/c27-20-10-11-23(33-16-28-31-32-33)18(14-20)9-12-24(34)30-22(13-17-5-2-1-3-6-17)25(35)29-21-8-4-7-19(15-21)26(36)37/h1-12,14-16,22H,13H2,(H,29,35)(H,30,34)(H,36,37)/b12-9+/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136611
(CHEMBL3752147)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)C#N)c1)-n1cnnn1 |r| Show InChI InChI=1S/C26H20ClN7O2/c27-21-9-12-24(34-17-29-32-33-34)20(15-21)8-13-25(35)31-23(14-18-4-2-1-3-5-18)26(36)30-22-10-6-19(16-28)7-11-22/h1-13,15,17,23H,14H2,(H,30,36)(H,31,35)/b13-8+/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136574
(CHEMBL3752266)Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C32H31ClFN9O5/c1-41-14-16-42(17-15-41)32(48)37-23-6-2-20(3-7-23)18-26(30(45)36-22-8-4-21(5-9-22)31(46)47)38-28(44)13-10-24-27(43-19-35-39-40-43)12-11-25(33)29(24)34/h2-13,19,26H,14-18H2,1H3,(H,36,45)(H,37,48)(H,38,44)(H,46,47)/b13-10+/t26-/m0/s1 | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136573
(CHEMBL3752047)Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C32H32ClN9O5/c1-40-14-16-41(17-15-40)32(47)36-26-8-2-21(3-9-26)18-27(30(44)35-25-10-4-22(5-11-25)31(45)46)37-29(43)13-6-23-19-24(33)7-12-28(23)42-20-34-38-39-42/h2-13,19-20,27H,14-18H2,1H3,(H,35,44)(H,36,47)(H,37,43)(H,45,46)/b13-6+/t27-/m0/s1 | PDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136579
(CHEMBL3754781)Show SMILES Oc1cc(=O)[nH]c2ccc(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H24ClN7O4/c29-20-7-9-24(36-16-31-34-35-36)18(13-20)10-11-30-28(40)23(12-17-4-2-1-3-5-17)33-27(39)19-6-8-22-21(14-19)25(37)15-26(38)32-22/h1-9,13-16,23H,10-12H2,(H,30,40)(H,33,39)(H2,32,37,38)/t23-/m0/s1 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136617
(CHEMBL3753468)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2nc[nH]n2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H22ClN9O2/c28-21-9-12-24(37-17-31-35-36-37)20(15-21)8-13-25(38)33-23(14-18-4-2-1-3-5-18)27(39)32-22-10-6-19(7-11-22)26-29-16-30-34-26/h1-13,15-17,23H,14H2,(H,32,39)(H,33,38)(H,29,30,34)/b13-8+/t23-/m0/s1 | PDB
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antibodypedia
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UniChem
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| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136580
(CHEMBL3753890)Show SMILES COC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C27H24ClN7O4/c1-39-27(38)31-22-11-9-21(10-12-22)30-26(37)23(15-18-5-3-2-4-6-18)32-25(36)14-7-19-16-20(28)8-13-24(19)35-17-29-33-34-35/h2-14,16-17,23H,15H2,1H3,(H,30,37)(H,31,38)(H,32,36)/b14-7+/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136608
(CHEMBL3754069)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C26H21ClN6O4/c27-20-9-12-23(33-16-28-31-32-33)19(15-20)8-13-24(34)30-22(14-17-4-2-1-3-5-17)25(35)29-21-10-6-18(7-11-21)26(36)37/h1-13,15-16,22H,14H2,(H,29,35)(H,30,34)(H,36,37)/b13-8+/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 122 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136610
(CHEMBL3754262)Show SMILES NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C26H22ClN7O3/c27-20-9-12-23(34-16-29-32-33-34)19(15-20)8-13-24(35)31-22(14-17-4-2-1-3-5-17)26(37)30-21-10-6-18(7-11-21)25(28)36/h1-13,15-16,22H,14H2,(H2,28,36)(H,30,37)(H,31,35)/b13-8+/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136616
(CHEMBL3752951)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-c2ncc[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C28H23ClN8O2/c29-22-9-12-25(37-18-32-35-36-37)21(17-22)8-13-26(38)34-24(16-19-4-2-1-3-5-19)28(39)33-23-10-6-20(7-11-23)27-30-14-15-31-27/h1-15,17-18,24H,16H2,(H,30,31)(H,33,39)(H,34,38)/b13-8+/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136611
(CHEMBL3752147)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)C#N)c1)-n1cnnn1 |r| Show InChI InChI=1S/C26H20ClN7O2/c27-21-9-12-24(34-17-29-32-33-34)20(15-21)8-13-25(35)31-23(14-18-4-2-1-3-5-18)26(36)30-22-10-6-19(16-28)7-11-22/h1-13,15,17,23H,14H2,(H,30,36)(H,31,35)/b13-8+/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136612
(CHEMBL3752735)Show SMILES COC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H24ClN7O4/c1-39-27(38)31-22-9-5-8-21(16-22)30-26(37)23(14-18-6-3-2-4-7-18)32-25(36)13-10-19-15-20(28)11-12-24(19)35-17-29-33-34-35/h2-13,15-17,23H,14H2,1H3,(H,30,37)(H,31,38)(H,32,36)/b13-10+/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 173 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136609
(CHEMBL3752772)Show SMILES OC(=O)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C27H23ClN6O4/c28-21-9-12-24(34-17-29-32-33-34)20(16-21)8-13-25(35)31-23(14-18-4-2-1-3-5-18)27(38)30-22-10-6-19(7-11-22)15-26(36)37/h1-13,16-17,23H,14-15H2,(H,30,38)(H,31,35)(H,36,37)/b13-8+/t23-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
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| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136615
(CHEMBL3751935)Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-n2cnnn2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C26H21ClN10O2/c27-20-7-12-24(37-17-29-33-35-37)19(15-20)6-13-25(38)31-23(14-18-4-2-1-3-5-18)26(39)30-21-8-10-22(11-9-21)36-16-28-32-34-36/h1-13,15-17,23H,14H2,(H,30,39)(H,31,38)/b13-6+/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136613
(CHEMBL3753374)Show SMILES OC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C26H21ClN6O4/c27-20-10-11-23(33-16-28-31-32-33)18(14-20)9-12-24(34)30-22(13-17-5-2-1-3-6-17)25(35)29-21-8-4-7-19(15-21)26(36)37/h1-12,14-16,22H,13H2,(H,29,35)(H,30,34)(H,36,37)/b12-9+/t22-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136572
(CHEMBL3754443)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C32H25ClN6O4/c33-26-13-16-29(39-20-34-37-38-39)25(19-26)12-17-30(40)36-28(31(41)35-27-14-10-24(11-15-27)32(42)43)18-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-17,19-20,28H,18H2,(H,35,41)(H,36,40)(H,42,43)/b17-12+/t28-/m0/s1 | PDB
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PubMed
| 317 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136578
(CHEMBL3752066)Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C27H26ClN7O4/c1-39-27(38)31-22-10-7-19(8-11-22)25(36)32-23(15-18-5-3-2-4-6-18)26(37)29-14-13-20-16-21(28)9-12-24(20)35-17-30-33-34-35/h2-12,16-17,23H,13-15H2,1H3,(H,29,37)(H,31,38)(H,32,36)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136612
(CHEMBL3752735)Show SMILES COC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r| Show InChI InChI=1S/C27H24ClN7O4/c1-39-27(38)31-22-9-5-8-21(16-22)30-26(37)23(14-18-6-3-2-4-7-18)32-25(36)13-10-19-15-20(28)11-12-24(19)35-17-29-33-34-35/h2-13,15-17,23H,14H2,1H3,(H,30,37)(H,31,38)(H,32,36)/b13-10+/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50136571
(CHEMBL3752830)Show SMILES CCCc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C29H27ClN6O4/c1-2-3-19-4-6-20(7-5-19)16-25(28(38)32-24-12-8-21(9-13-24)29(39)40)33-27(37)15-10-22-17-23(30)11-14-26(22)36-18-31-34-35-36/h4-15,17-18,25H,2-3,16H2,1H3,(H,32,38)(H,33,37)(H,39,40)/b15-10+/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 804 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human plasma kallikrein |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136577
(CHEMBL3752071)Show SMILES Clc1ccc(c(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)-c2nnn[nH]2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C26H23ClN10O2/c27-21-10-11-23(37-16-29-33-36-37)20(15-21)12-13-28-26(39)22(14-17-4-2-1-3-5-17)30-25(38)19-8-6-18(7-9-19)24-31-34-35-32-24/h1-11,15-16,22H,12-14H2,(H,28,39)(H,30,38)(H,31,32,34,35)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50136576
(CHEMBL3753069)Show SMILES OC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H23ClN6O4/c27-21-10-11-23(33-16-29-31-32-33)20(15-21)12-13-28-25(35)22(14-17-4-2-1-3-5-17)30-24(34)18-6-8-19(9-7-18)26(36)37/h1-11,15-16,22H,12-14H2,(H,28,35)(H,30,34)(H,36,37)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy... |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM50136573
(CHEMBL3752047)Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C32H32ClN9O5/c1-40-14-16-41(17-15-40)32(47)36-26-8-2-21(3-9-26)18-27(30(44)35-25-10-4-22(5-11-25)31(45)46)37-29(43)13-6-23-19-24(33)7-12-28(23)42-20-34-38-39-42/h2-13,19-20,27H,14-18H2,1H3,(H,35,44)(H,36,47)(H,37,43)(H,45,46)/b13-6+/t27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PubMed
| >3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 12a |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50136608
(CHEMBL3754069)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C26H21ClN6O4/c27-20-9-12-23(33-16-28-31-32-33)19(15-20)8-13-24(34)30-22(14-17-4-2-1-3-5-17)25(35)29-21-10-6-18(7-11-21)26(36)37/h1-13,15-16,22H,14H2,(H,29,35)(H,30,34)(H,36,37)/b13-8+/t22-/m0/s1 | PDB
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Reactome pathway
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| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human coagulation factor 10a |
Bioorg Med Chem Lett 26: 472-8 (2016)
Article DOI: 10.1016/j.bmcl.2015.11.089
BindingDB Entry DOI: 10.7270/Q27H1MFM |
More data for this
Ligand-Target Pair | |
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