Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50011954 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 X
(Homo sapiens (Human)) | BDBM50112506
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ni...)Show SMILES C\C(CNc1ccc(OC2CC[N+](CC2)=C(C)[NH-])c(c1)[N+]([O-])=O)=C/c1cccc(c1)C(N)=N |(8.92,-4.79,;7.58,-5.56,;6.23,-4.79,;6.23,-3.25,;4.91,-2.48,;3.57,-3.25,;2.24,-2.48,;2.24,-.94,;.91,-.17,;-.44,-.94,;-1.76,-.16,;-3.09,-.92,;-3.1,-2.46,;-1.76,-3.24,;-.44,-2.47,;-4.43,-3.23,;-5.78,-2.46,;-4.45,-4.77,;3.57,-.17,;4.91,-.94,;3.55,1.37,;4.9,2.14,;2.22,2.14,;7.56,-7.1,;8.89,-7.87,;8.91,-9.41,;10.25,-10.18,;11.58,-9.4,;11.57,-7.84,;10.22,-7.09,;12.9,-7.07,;12.88,-5.53,;14.23,-7.82,)| Show InChI InChI=1S/C24H30N6O3/c1-16(12-18-4-3-5-19(13-18)24(26)27)15-28-20-6-7-23(22(14-20)30(31)32)33-21-8-10-29(11-9-21)17(2)25/h3-7,12-14,21,25,28H,8-11,15H2,1-2H3,(H3,26,27)/b16-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112502
(CHEMBL26299 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)Show SMILES CCOC(=O)CCC(=O)N(CC=Cc1cc(ccc1O)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F |w:12.12| Show InChI InChI=1S/C30H36F3N5O5/c1-3-42-28(41)11-10-27(40)38(14-4-5-20-17-21(29(35)36)6-8-25(20)39)22-7-9-26(24(18-22)30(31,32)33)43-23-12-15-37(16-13-23)19(2)34/h4-9,17-18,23,34,39H,3,10-16H2,1-2H3,(H3,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112503
(7-({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-nitr...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NCc2ccc3ccc(cc3c2)C(N)=N)cc1[N+]([O-])=O |(-2.07,-4.18,;-.74,-4.97,;-.74,-6.51,;.59,-4.2,;.61,-2.66,;1.94,-1.9,;3.27,-2.68,;3.27,-4.21,;1.94,-4.98,;4.6,-1.91,;5.93,-2.68,;5.93,-4.22,;7.26,-4.99,;8.61,-4.22,;9.95,-4.99,;9.95,-6.53,;11.28,-7.29,;11.28,-8.83,;12.61,-9.6,;13.94,-8.83,;15.28,-9.59,;16.62,-8.8,;16.6,-7.26,;15.27,-6.49,;13.94,-7.28,;12.61,-6.52,;17.93,-6.47,;17.92,-4.93,;19.27,-7.24,;8.61,-2.67,;7.26,-1.9,;7.26,-.36,;8.59,.41,;5.93,.4,)| Show InChI InChI=1S/C25H28N6O3/c1-16(26)30-10-8-22(9-11-30)34-24-7-6-21(14-23(24)31(32)33)29-15-17-2-3-18-4-5-19(25(27)28)13-20(18)12-17/h2-7,12-14,22,26,29H,8-11,15H2,1H3,(H3,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112497
(CHEMBL26240 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(CC=Cc1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O |w:23.25| Show InChI InChI=1S/C28H32F3N5O5/c1-17(32)35-13-10-21(11-14-35)41-24-7-5-20(16-22(24)28(29,30)31)36(25(38)8-9-26(39)40)12-2-3-18-15-19(27(33)34)4-6-23(18)37/h2-7,15-16,21,32,37H,8-14H2,1H3,(H3,33,34)(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112491
(4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F |w:17.18| Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112500
(3'-({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-nit...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NCc2cccc(c2)-c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-4.64,-1.92,;-3.23,-2.6,;-3.08,-4.13,;-2,-1.75,;-2.14,-.22,;-.91,.63,;.5,-.06,;.64,-1.56,;-.61,-2.43,;1.73,.79,;3.12,.12,;3.29,-1.4,;4.68,-2.08,;5.93,-1.21,;7.32,-1.89,;7.48,-3.42,;8.87,-4.09,;10.1,-3.21,;11.49,-3.88,;11.66,-5.42,;10.42,-6.28,;9.03,-5.61,;10.59,-7.79,;9.35,-8.66,;9.51,-10.19,;10.9,-10.86,;12.14,-10,;11.98,-8.47,;13.52,-10.71,;14.79,-9.91,;13.61,-12.25,;5.76,.32,;4.36,.98,;4.2,2.52,;5.43,3.37,;2.81,3.18,)| Show InChI InChI=1S/C27H30N6O3/c1-18(28)32-12-10-24(11-13-32)36-26-9-8-23(16-25(26)33(34)35)31-17-19-4-2-5-20(14-19)21-6-3-7-22(15-21)27(29)30/h2-9,14-16,24,28,31H,10-13,17H2,1H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112488
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ni...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-5.78,-2.46,;-4.43,-3.23,;-4.45,-4.77,;-3.1,-2.46,;-3.1,-.92,;-1.77,-.16,;-.44,-.94,;-.44,-2.47,;-1.77,-3.24,;.91,-.17,;2.24,-.94,;2.24,-2.48,;3.57,-3.25,;4.91,-2.48,;6.24,-3.25,;6.24,-4.79,;7.58,-5.56,;7.57,-7.1,;8.9,-7.87,;8.91,-9.41,;10.25,-10.18,;11.58,-9.4,;11.57,-7.85,;10.23,-7.09,;12.9,-7.07,;12.89,-5.53,;14.24,-7.82,;4.91,-.94,;3.57,-.17,;3.55,1.37,;4.9,2.14,;2.22,2.14,)| Show InChI InChI=1S/C23H28N6O3/c1-16(24)28-12-9-20(10-13-28)32-22-8-7-19(15-21(22)29(30)31)27-11-3-5-17-4-2-6-18(14-17)23(25)26/h2-8,14-15,20,24,27H,9-13H2,1H3,(H3,25,26)/b5-3+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112490
(CHEMBL424589 | N-[3-(3-Carbamimidoyl-phenyl)-allyl...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C28H32F3N5O4/c1-18(32)35-14-11-22(12-15-35)40-24-8-7-21(17-23(24)28(29,30)31)36(25(37)9-10-26(38)39)13-3-5-19-4-2-6-20(16-19)27(33)34/h2-8,16-17,22,32H,9-15H2,1H3,(H3,33,34)(H,38,39)/b5-3+,32-18? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112489
(CHEMBL277424 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C27H31F3N4O5/c1-33-13-10-20(11-14-33)39-23-7-5-19(16-21(23)27(28,29)30)34(24(36)8-9-25(37)38)12-2-3-17-15-18(26(31)32)4-6-22(17)35/h2-7,15-16,20,35H,8-14H2,1H3,(H3,31,32)(H,37,38)/b3-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112494
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methy...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1[N+]([O-])=O |(-7.32,-3.83,;-5.99,-4.62,;-5.99,-6.16,;-4.66,-3.85,;-3.33,-4.63,;-1.98,-3.86,;-1.98,-2.33,;-3.33,-1.55,;-4.64,-2.31,;-.65,-1.56,;.68,-2.33,;.68,-3.87,;2.01,-4.64,;3.36,-3.86,;4.81,-4.34,;4.83,-5.88,;6.16,-6.65,;6.16,-8.17,;7.49,-8.94,;8.82,-8.17,;10.16,-8.94,;11.49,-8.17,;11.49,-6.61,;10.13,-5.86,;8.82,-6.63,;7.47,-5.86,;12.81,-5.83,;12.79,-4.29,;14.15,-6.59,;5.72,-3.09,;7.26,-3.09,;4.81,-1.84,;3.36,-2.32,;2.01,-1.55,;2.01,-.01,;3.34,.76,;.68,.75,)| Show InChI InChI=1S/C27H29N7O3/c1-16(28)32-11-9-22(10-12-32)37-24-8-7-23-25(26(24)34(35)36)31-17(2)33(23)15-18-3-4-19-5-6-20(27(29)30)14-21(19)13-18/h3-8,13-14,22,28H,9-12,15H2,1-2H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112496
(CHEMBL26709 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CN(C(=O)CCC(O)=O)c2ccc(OC3CCN(CC(O)=O)CC3)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C28H31F3N4O7/c29-28(30,31)21-15-19(4-6-23(21)42-20-9-12-34(13-10-20)16-26(40)41)35(24(37)7-8-25(38)39)11-1-2-17-14-18(27(32)33)3-5-22(17)36/h1-6,14-15,20,36H,7-13,16H2,(H3,32,33)(H,38,39)(H,40,41)/b2-1+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112492
(CHEMBL26287 | N-[3-(3-Carbamimidoyl-phenyl)-allyl]...)Show SMILES CCOC(=O)CCC(=O)N(C\C=C\c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F Show InChI InChI=1S/C30H36F3N5O4/c1-3-41-28(40)12-11-27(39)38(15-5-7-21-6-4-8-22(18-21)29(35)36)23-9-10-26(25(19-23)30(31,32)33)42-24-13-16-37(17-14-24)20(2)34/h4-10,18-19,24,34H,3,11-17H2,1-2H3,(H3,35,36)/b7-5+,34-20? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112486
(4-([3-(3-Carbamimidoyl-phenyl)-allyl]-{4-[1-(1-imi...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)c1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C33H32F3N5O6/c1-19(37)40-14-11-24(12-15-40)47-28-10-8-23(18-27(28)33(34,35)36)41(13-3-5-20-4-2-6-21(16-20)29(38)39)30(42)22-7-9-25(31(43)44)26(17-22)32(45)46/h2-10,16-18,24,37H,11-15H2,1H3,(H3,38,39)(H,43,44)(H,45,46)/b5-3+,37-19? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112505
(4-Hydroxy-3-{3-[4-(1-methyl-piperidin-4-yloxy)-3-t...)Show SMILES CN1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2/c1-30-11-8-18(9-12-30)32-21-7-5-17(14-19(21)23(24,25)26)29-10-2-3-15-13-16(22(27)28)4-6-20(15)31/h2-7,13-14,18,29,31H,8-12H2,1H3,(H3,27,28)/b3-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112495
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-tr...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C24H28F3N5O/c1-16(28)32-12-9-20(10-13-32)33-22-8-7-19(15-21(22)24(25,26)27)31-11-3-5-17-4-2-6-18(14-17)23(29)30/h2-8,14-15,20,28,31H,9-13H2,1H3,(H3,29,30)/b5-3+,28-16? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112498
(CHEMBL25170 | N-[4-(1-Acetyl-piperidin-4-yloxy)-3-...)Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C28H31F3N4O6/c1-17(36)34-13-10-21(11-14-34)41-24-7-5-20(16-22(24)28(29,30)31)35(25(38)8-9-26(39)40)12-2-3-18-15-19(27(32)33)4-6-23(18)37/h2-7,15-16,21,37H,8-14H2,1H3,(H3,32,33)(H,39,40)/b3-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112494
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methy...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc2n(Cc3ccc4ccc(cc4c3)C(N)=N)c(C)nc2c1[N+]([O-])=O |(-7.32,-3.83,;-5.99,-4.62,;-5.99,-6.16,;-4.66,-3.85,;-3.33,-4.63,;-1.98,-3.86,;-1.98,-2.33,;-3.33,-1.55,;-4.64,-2.31,;-.65,-1.56,;.68,-2.33,;.68,-3.87,;2.01,-4.64,;3.36,-3.86,;4.81,-4.34,;4.83,-5.88,;6.16,-6.65,;6.16,-8.17,;7.49,-8.94,;8.82,-8.17,;10.16,-8.94,;11.49,-8.17,;11.49,-6.61,;10.13,-5.86,;8.82,-6.63,;7.47,-5.86,;12.81,-5.83,;12.79,-4.29,;14.15,-6.59,;5.72,-3.09,;7.26,-3.09,;4.81,-1.84,;3.36,-2.32,;2.01,-1.55,;2.01,-.01,;3.34,.76,;.68,.75,)| Show InChI InChI=1S/C27H29N7O3/c1-16(28)32-11-9-22(10-12-32)37-24-8-7-23-25(26(24)34(35)36)31-17(2)33(23)15-18-3-4-19-5-6-20(27(29)30)14-21(19)13-18/h3-8,13-14,22,28H,9-12,15H2,1-2H3,(H3,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112499
(3-(3-{3-Fluoro-4-[1-(1-imino-ethyl)-piperidin-4-yl...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1F Show InChI InChI=1S/C23H28FN5O/c1-16(25)29-12-9-20(10-13-29)30-22-8-7-19(15-21(22)24)28-11-3-5-17-4-2-6-18(14-17)23(26)27/h2-8,14-15,20,25,28H,9-13H2,1H3,(H3,26,27)/b5-3+,25-16? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112506
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ni...)Show SMILES C\C(CNc1ccc(OC2CC[N+](CC2)=C(C)[NH-])c(c1)[N+]([O-])=O)=C/c1cccc(c1)C(N)=N |(8.92,-4.79,;7.58,-5.56,;6.23,-4.79,;6.23,-3.25,;4.91,-2.48,;3.57,-3.25,;2.24,-2.48,;2.24,-.94,;.91,-.17,;-.44,-.94,;-1.76,-.16,;-3.09,-.92,;-3.1,-2.46,;-1.76,-3.24,;-.44,-2.47,;-4.43,-3.23,;-5.78,-2.46,;-4.45,-4.77,;3.57,-.17,;4.91,-.94,;3.55,1.37,;4.9,2.14,;2.22,2.14,;7.56,-7.1,;8.89,-7.87,;8.91,-9.41,;10.25,-10.18,;11.58,-9.4,;11.57,-7.84,;10.22,-7.09,;12.9,-7.07,;12.88,-5.53,;14.23,-7.82,)| Show InChI InChI=1S/C24H30N6O3/c1-16(12-18-4-3-5-19(13-18)24(26)27)15-28-20-6-7-23(22(14-20)30(31)32)33-21-8-10-29(11-9-21)17(2)25/h3-7,12-14,21,25,28H,8-11,15H2,1-2H3,(H3,26,27)/b16-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112507
(5-[3-(3-Carbamimidoyl-phenyl)-allylamino]-2-[1-(1-...)Show SMILES CCOC(=O)c1cc(NC\C=C\c2cccc(c2)C(N)=N)ccc1OC1CCN(CC1)C(C)=N Show InChI InChI=1S/C26H33N5O3/c1-3-33-26(32)23-17-21(30-13-5-7-19-6-4-8-20(16-19)25(28)29)9-10-24(23)34-22-11-14-31(15-12-22)18(2)27/h4-10,16-17,22,27,30H,3,11-15H2,1-2H3,(H3,28,29)/b7-5+,27-18? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112503
(7-({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-nitr...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NCc2ccc3ccc(cc3c2)C(N)=N)cc1[N+]([O-])=O |(-2.07,-4.18,;-.74,-4.97,;-.74,-6.51,;.59,-4.2,;.61,-2.66,;1.94,-1.9,;3.27,-2.68,;3.27,-4.21,;1.94,-4.98,;4.6,-1.91,;5.93,-2.68,;5.93,-4.22,;7.26,-4.99,;8.61,-4.22,;9.95,-4.99,;9.95,-6.53,;11.28,-7.29,;11.28,-8.83,;12.61,-9.6,;13.94,-8.83,;15.28,-9.59,;16.62,-8.8,;16.6,-7.26,;15.27,-6.49,;13.94,-7.28,;12.61,-6.52,;17.93,-6.47,;17.92,-4.93,;19.27,-7.24,;8.61,-2.67,;7.26,-1.9,;7.26,-.36,;8.59,.41,;5.93,.4,)| Show InChI InChI=1S/C25H28N6O3/c1-16(26)30-10-8-22(9-11-30)34-24-7-6-21(14-23(24)31(32)33)29-15-17-2-3-18-4-5-19(25(27)28)13-20(18)12-17/h2-7,12-14,22,26,29H,8-11,15H2,1H3,(H3,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112501
(4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylam...)Show SMILES NC(=N)c1ccc(O)c(C=CCNc2ccc(OC3CCN(CC3)C(N)=O)c(c2)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C23H26F3N5O3/c24-23(25,26)18-13-16(4-6-20(18)34-17-7-10-31(11-8-17)22(29)33)30-9-1-2-14-12-15(21(27)28)3-5-19(14)32/h1-6,12-13,17,30,32H,7-11H2,(H3,27,28)(H2,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112493
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C23H29N5O/c1-17(24)28-14-11-22(12-15-28)29-21-9-7-20(8-10-21)27-13-3-5-18-4-2-6-19(16-18)23(25)26/h2-10,16,22,24,27H,11-15H2,1H3,(H3,25,26)/b5-3+,24-17? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112486
(4-([3-(3-Carbamimidoyl-phenyl)-allyl]-{4-[1-(1-imi...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)c1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C33H32F3N5O6/c1-19(37)40-14-11-24(12-15-40)47-28-10-8-23(18-27(28)33(34,35)36)41(13-3-5-20-4-2-6-21(16-20)29(38)39)30(42)22-7-9-25(31(43)44)26(17-22)32(45)46/h2-10,16-18,24,37H,11-15H2,1H3,(H3,38,39)(H,43,44)(H,45,46)/b5-3+,37-19? | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112487
(3-{3-[4-(1-Acetyl-piperidin-4-yloxy)-3-trifluorome...)Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C24H27F3N4O3/c1-15(32)31-11-8-19(9-12-31)34-22-7-5-18(14-20(22)24(25,26)27)30-10-2-3-16-13-17(23(28)29)4-6-21(16)33/h2-7,13-14,19,30,33H,8-12H2,1H3,(H3,28,29)/b3-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112488
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ni...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-5.78,-2.46,;-4.43,-3.23,;-4.45,-4.77,;-3.1,-2.46,;-3.1,-.92,;-1.77,-.16,;-.44,-.94,;-.44,-2.47,;-1.77,-3.24,;.91,-.17,;2.24,-.94,;2.24,-2.48,;3.57,-3.25,;4.91,-2.48,;6.24,-3.25,;6.24,-4.79,;7.58,-5.56,;7.57,-7.1,;8.9,-7.87,;8.91,-9.41,;10.25,-10.18,;11.58,-9.4,;11.57,-7.85,;10.23,-7.09,;12.9,-7.07,;12.89,-5.53,;14.24,-7.82,;4.91,-.94,;3.57,-.17,;3.55,1.37,;4.9,2.14,;2.22,2.14,)| Show InChI InChI=1S/C23H28N6O3/c1-16(24)28-12-9-20(10-13-28)32-22-8-7-19(15-21(22)29(30)31)27-11-3-5-17-4-2-6-18(14-17)23(25)26/h2-8,14-15,20,24,27H,9-13H2,1H3,(H3,25,26)/b5-3+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112507
(5-[3-(3-Carbamimidoyl-phenyl)-allylamino]-2-[1-(1-...)Show SMILES CCOC(=O)c1cc(NC\C=C\c2cccc(c2)C(N)=N)ccc1OC1CCN(CC1)C(C)=N Show InChI InChI=1S/C26H33N5O3/c1-3-33-26(32)23-17-21(30-13-5-7-19-6-4-8-20(16-19)25(28)29)9-10-24(23)34-22-11-14-31(15-12-22)18(2)27/h4-10,16-17,22,27,30H,3,11-15H2,1-2H3,(H3,28,29)/b7-5+,27-18? | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112500
(3'-({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-nit...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NCc2cccc(c2)-c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-4.64,-1.92,;-3.23,-2.6,;-3.08,-4.13,;-2,-1.75,;-2.14,-.22,;-.91,.63,;.5,-.06,;.64,-1.56,;-.61,-2.43,;1.73,.79,;3.12,.12,;3.29,-1.4,;4.68,-2.08,;5.93,-1.21,;7.32,-1.89,;7.48,-3.42,;8.87,-4.09,;10.1,-3.21,;11.49,-3.88,;11.66,-5.42,;10.42,-6.28,;9.03,-5.61,;10.59,-7.79,;9.35,-8.66,;9.51,-10.19,;10.9,-10.86,;12.14,-10,;11.98,-8.47,;13.52,-10.71,;14.79,-9.91,;13.61,-12.25,;5.76,.32,;4.36,.98,;4.2,2.52,;5.43,3.37,;2.81,3.18,)| Show InChI InChI=1S/C27H30N6O3/c1-18(28)32-12-10-24(11-13-32)36-26-9-8-23(16-25(26)33(34)35)31-17-19-4-2-5-20(14-19)21-6-3-7-22(15-21)27(29)30/h2-9,14-16,24,28,31H,10-13,17H2,1H3,(H3,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50112504
(4-Hydroxy-3-{3-[4-(1-methanesulfonyl-piperidin-4-y...)Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O4S/c1-35(32,33)30-11-8-18(9-12-30)34-21-7-5-17(14-19(21)23(24,25)26)29-10-2-3-15-13-16(22(27)28)4-6-20(15)31/h2-7,13-14,18,29,31H,8-12H2,1H3,(H3,27,28)/b3-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor Xa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112495
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-tr...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C24H28F3N5O/c1-16(28)32-12-9-20(10-13-32)33-22-8-7-19(15-21(22)24(25,26)27)31-11-3-5-17-4-2-6-18(14-17)23(29)30/h2-8,14-15,20,28,31H,9-13H2,1H3,(H3,29,30)/b5-3+,28-16? | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112499
(3-(3-{3-Fluoro-4-[1-(1-imino-ethyl)-piperidin-4-yl...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1F Show InChI InChI=1S/C23H28FN5O/c1-16(25)29-12-9-20(10-13-29)30-22-8-7-19(15-21(22)24)28-11-3-5-17-4-2-6-18(14-17)23(26)27/h2-8,14-15,20,25,28H,9-13H2,1H3,(H3,26,27)/b5-3+,25-16? | PDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112492
(CHEMBL26287 | N-[3-(3-Carbamimidoyl-phenyl)-allyl]...)Show SMILES CCOC(=O)CCC(=O)N(C\C=C\c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F Show InChI InChI=1S/C30H36F3N5O4/c1-3-41-28(40)12-11-27(39)38(15-5-7-21-6-4-8-22(18-21)29(35)36)23-9-10-26(25(19-23)30(31,32)33)42-24-13-16-37(17-14-24)20(2)34/h4-10,18-19,24,34H,3,11-17H2,1-2H3,(H3,35,36)/b7-5+,34-20? | PDB
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| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112493
(3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phen...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C23H29N5O/c1-17(24)28-14-11-22(12-15-28)29-21-9-7-20(8-10-21)27-13-3-5-18-4-2-6-19(16-18)23(25)26/h2-10,16,22,24,27H,11-15H2,1H3,(H3,25,26)/b5-3+,24-17? | PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112490
(CHEMBL424589 | N-[3-(3-Carbamimidoyl-phenyl)-allyl...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C28H32F3N5O4/c1-18(32)35-14-11-22(12-15-35)40-24-8-7-21(17-23(24)28(29,30)31)36(25(37)9-10-26(38)39)13-3-5-19-4-2-6-20(16-19)27(33)34/h2-8,16-17,22,32H,9-15H2,1H3,(H3,33,34)(H,38,39)/b5-3+,32-18? | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112491
(4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F |w:17.18| Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30) | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112502
(CHEMBL26299 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)Show SMILES CCOC(=O)CCC(=O)N(CC=Cc1cc(ccc1O)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F |w:12.12| Show InChI InChI=1S/C30H36F3N5O5/c1-3-42-28(41)11-10-27(40)38(14-4-5-20-17-21(29(35)36)6-8-25(20)39)22-7-9-26(24(18-22)30(31,32)33)43-23-12-15-37(16-13-23)19(2)34/h4-9,17-18,23,34,39H,3,10-16H2,1-2H3,(H3,35,36) | PDB
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50112501
(4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylam...)Show SMILES NC(=N)c1ccc(O)c(C=CCNc2ccc(OC3CCN(CC3)C(N)=O)c(c2)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C23H26F3N5O3/c24-23(25,26)18-13-16(4-6-20(18)34-17-7-10-31(11-8-17)22(29)33)30-9-1-2-14-12-15(21(27)28)3-5-19(14)32/h1-6,12-13,17,30,32H,7-11H2,(H3,27,28)(H2,29,33) | PDB
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor IIa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112497
(CHEMBL26240 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(CC=Cc1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O |w:23.25| Show InChI InChI=1S/C28H32F3N5O5/c1-17(32)35-13-10-21(11-14-35)41-24-7-5-20(16-22(24)28(29,30)31)36(25(38)8-9-26(39)40)12-2-3-18-15-19(27(33)34)4-6-23(18)37/h2-7,15-16,21,32,37H,8-14H2,1H3,(H3,33,34)(H,39,40) | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50112500
(3'-({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-nit...)Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NCc2cccc(c2)-c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-4.64,-1.92,;-3.23,-2.6,;-3.08,-4.13,;-2,-1.75,;-2.14,-.22,;-.91,.63,;.5,-.06,;.64,-1.56,;-.61,-2.43,;1.73,.79,;3.12,.12,;3.29,-1.4,;4.68,-2.08,;5.93,-1.21,;7.32,-1.89,;7.48,-3.42,;8.87,-4.09,;10.1,-3.21,;11.49,-3.88,;11.66,-5.42,;10.42,-6.28,;9.03,-5.61,;10.59,-7.79,;9.35,-8.66,;9.51,-10.19,;10.9,-10.86,;12.14,-10,;11.98,-8.47,;13.52,-10.71,;14.79,-9.91,;13.61,-12.25,;5.76,.32,;4.36,.98,;4.2,2.52,;5.43,3.37,;2.81,3.18,)| Show InChI InChI=1S/C27H30N6O3/c1-18(28)32-12-10-24(11-13-32)36-26-9-8-23(16-25(26)33(34)35)31-17-19-4-2-5-20(14-19)21-6-3-7-22(15-21)27(29)30/h2-9,14-16,24,28,31H,10-13,17H2,1H3,(H3,29,30) | PDB
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor IIa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50112507
(5-[3-(3-Carbamimidoyl-phenyl)-allylamino]-2-[1-(1-...)Show SMILES CCOC(=O)c1cc(NC\C=C\c2cccc(c2)C(N)=N)ccc1OC1CCN(CC1)C(C)=N Show InChI InChI=1S/C26H33N5O3/c1-3-33-26(32)23-17-21(30-13-5-7-19-6-4-8-20(16-19)25(28)29)9-10-24(23)34-22-11-14-31(15-12-22)18(2)27/h4-10,16-17,22,27,30H,3,11-15H2,1-2H3,(H3,28,29)/b7-5+,27-18? | PDB
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| PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor IIa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50112487
(3-{3-[4-(1-Acetyl-piperidin-4-yloxy)-3-trifluorome...)Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C24H27F3N4O3/c1-15(32)31-11-8-19(9-12-31)34-22-7-5-18(14-20(22)24(25,26)27)30-10-2-3-16-13-17(23(28)29)4-6-21(16)33/h2-7,13-14,19,30,33H,8-12H2,1H3,(H3,28,29)/b3-2+ | PDB
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PC sid
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Similars
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| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor IIa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112501
(4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylam...)Show SMILES NC(=N)c1ccc(O)c(C=CCNc2ccc(OC3CCN(CC3)C(N)=O)c(c2)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C23H26F3N5O3/c24-23(25,26)18-13-16(4-6-20(18)34-17-7-10-31(11-8-17)22(29)33)30-9-1-2-14-12-15(21(27)28)3-5-19(14)32/h1-6,12-13,17,30,32H,7-11H2,(H3,27,28)(H2,29,33) | PDB
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| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112505
(4-Hydroxy-3-{3-[4-(1-methyl-piperidin-4-yloxy)-3-t...)Show SMILES CN1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O2/c1-30-11-8-18(9-12-30)32-21-7-5-17(14-19(21)23(24,25)26)29-10-2-3-15-13-16(22(27)28)4-6-20(15)31/h2-7,13-14,18,29,31H,8-12H2,1H3,(H3,27,28)/b3-2+ | PDB
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| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112489
(CHEMBL277424 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C27H31F3N4O5/c1-33-13-10-20(11-14-33)39-23-7-5-19(16-21(23)27(28,29)30)34(24(36)8-9-25(37)38)12-2-3-17-15-18(26(31)32)4-6-22(17)35/h2-7,15-16,20,35H,8-14H2,1H3,(H3,31,32)(H,37,38)/b3-2+ | PDB
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| 765 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112487
(3-{3-[4-(1-Acetyl-piperidin-4-yloxy)-3-trifluorome...)Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C24H27F3N4O3/c1-15(32)31-11-8-19(9-12-31)34-22-7-5-18(14-20(22)24(25,26)27)30-10-2-3-16-13-17(23(28)29)4-6-21(16)33/h2-7,13-14,19,30,33H,8-12H2,1H3,(H3,28,29)/b3-2+ | PDB
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Similars
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| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112496
(CHEMBL26709 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)Show SMILES NC(=N)c1ccc(O)c(\C=C\CN(C(=O)CCC(O)=O)c2ccc(OC3CCN(CC(O)=O)CC3)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C28H31F3N4O7/c29-28(30,31)21-15-19(4-6-23(21)42-20-9-12-34(13-10-20)16-26(40)41)35(24(37)7-8-25(38)39)11-1-2-17-14-18(27(32)33)3-5-22(17)36/h1-6,14-15,20,36H,7-13,16H2,(H3,32,33)(H,38,39)(H,40,41)/b2-1+ | PDB
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| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50112504
(4-Hydroxy-3-{3-[4-(1-methanesulfonyl-piperidin-4-y...)Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(NC\C=C\c2cc(ccc2O)C(N)=N)cc1C(F)(F)F Show InChI InChI=1S/C23H27F3N4O4S/c1-35(32,33)30-11-8-18(9-12-30)34-21-7-5-17(14-19(21)23(24,25)26)29-10-2-3-15-13-16(22(27)28)4-6-20(15)31/h2-7,13-14,18,29,31H,8-12H2,1H3,(H3,27,28)/b3-2+ | PDB
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PC sid
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Similars
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| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor IIa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50112498
(CHEMBL25170 | N-[4-(1-Acetyl-piperidin-4-yloxy)-3-...)Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O Show InChI InChI=1S/C28H31F3N4O6/c1-17(36)34-13-10-21(11-14-34)41-24-7-5-20(16-22(24)28(29,30)31)35(25(38)8-9-26(39)40)12-2-3-18-15-19(27(32)33)4-6-23(18)37/h2-7,15-16,21,37H,8-14H2,1H3,(H3,32,33)(H,39,40)/b3-2+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of trypsin |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50112492
(CHEMBL26287 | N-[3-(3-Carbamimidoyl-phenyl)-allyl]...)Show SMILES CCOC(=O)CCC(=O)N(C\C=C\c1cccc(c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)c(c1)C(F)(F)F Show InChI InChI=1S/C30H36F3N5O4/c1-3-41-28(40)12-11-27(39)38(15-5-7-21-6-4-8-22(18-21)29(35)36)23-9-10-26(25(19-23)30(31,32)33)42-24-13-16-37(17-14-24)20(2)34/h4-10,18-19,24,34H,3,11-17H2,1-2H3,(H3,35,36)/b7-5+,34-20? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor IIa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50112491
(4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F |w:17.18| Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Competitive inhibition of coagulation factor IIa |
Bioorg Med Chem Lett 12: 1307-10 (2002)
BindingDB Entry DOI: 10.7270/Q21R6PV8 |
More data for this
Ligand-Target Pair | |
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