Found 95 hits with Last Name = 'mahler' and Initial = 'j' 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)) | BDBM50084617
(((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Coagulation factor Xa (fXa) |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097754
(3-Carbamimidoyl-N-{(R)-2-[4-(4-fluoro-benzoyl)-pip...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H27FN4O3/c29-23-11-9-19(10-12-23)25(34)20-13-15-33(16-14-20)28(36)24(18-5-2-1-3-6-18)32-27(35)22-8-4-7-21(17-22)26(30)31/h1-12,17,20,24H,13-16H2,(H3,30,31)(H,32,35)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097772
(3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-pyridin...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C25H26N6O2/c26-23(27)19-7-4-8-20(17-19)24(32)29-22(18-5-2-1-3-6-18)25(33)31-15-13-30(14-16-31)21-9-11-28-12-10-21/h1-12,17,22H,13-16H2,(H3,26,27)(H,29,32)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097771
(3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28N4O3/c29-26(30)22-12-7-13-23(18-22)27(34)31-24(19-8-3-1-4-9-19)28(35)32-16-14-21(15-17-32)25(33)20-10-5-2-6-11-20/h1-13,18,21,24H,14-17H2,(H3,29,30)(H,31,34)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097770
(3-Carbamimidoyl-N-{(R)-2-[4-(4-fluoro-phenyl)-pipe...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C26H26FN5O2/c27-21-9-11-22(12-10-21)31-13-15-32(16-14-31)26(34)23(18-5-2-1-3-6-18)30-25(33)20-8-4-7-19(17-20)24(28)29/h1-12,17,23H,13-16H2,(H3,28,29)(H,30,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097759
(3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27N5O2/c27-24(28)20-10-7-11-21(18-20)25(32)29-23(19-8-3-1-4-9-19)26(33)31-16-14-30(15-17-31)22-12-5-2-6-13-22/h1-13,18,23H,14-17H2,(H3,27,28)(H,29,32)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50110746
(3-Carbamimidoyl-N-{2-[4-(4-chloro-phenyl)-piperazi...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C26H26ClN5O2/c27-21-9-11-22(12-10-21)31-13-15-32(16-14-31)26(34)23(18-5-2-1-3-6-18)30-25(33)20-8-4-7-19(17-20)24(28)29/h1-12,17,23H,13-16H2,(H3,28,29)(H,30,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Coagulation factor Xa(fXa) |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097771
(3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28N4O3/c29-26(30)22-12-7-13-23(18-22)27(34)31-24(19-8-3-1-4-9-19)28(35)32-16-14-21(15-17-32)25(33)20-10-5-2-6-11-20/h1-13,18,21,24H,14-17H2,(H3,29,30)(H,31,34)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Coagulation factor Xa (fXa) |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50110748
((3-Carbamimidoyl-benzoylamino)-phenyl-acetic acid ...)Show SMILES NC(=N)N1CCC(CCOC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1 Show InChI InChI=1S/C24H30N6O3/c25-21(26)18-7-4-8-19(15-18)22(31)29-20(17-5-2-1-3-6-17)23(32)33-14-11-16-9-12-30(13-10-16)24(27)28/h1-8,15-16,20H,9-14H2,(H3,25,26)(H3,27,28)(H,29,31)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Coagulation factor Xa (fXa) |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097757
(3-Carbamimidoyl-N-[(R)-(4-methoxy-benzylcarbamoyl)...)Show SMILES COc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C24H24N4O3/c1-31-20-12-10-16(11-13-20)15-27-24(30)21(17-6-3-2-4-7-17)28-23(29)19-9-5-8-18(14-19)22(25)26/h2-14,21H,15H2,1H3,(H3,25,26)(H,27,30)(H,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097775
(CHEMBL163578 | N-[(R)-2-(4-Benzyl-piperidin-1-yl)-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H30N4O2/c29-26(30)23-12-7-13-24(19-23)27(33)31-25(22-10-5-2-6-11-22)28(34)32-16-14-21(15-17-32)18-20-8-3-1-4-9-20/h1-13,19,21,25H,14-18H2,(H3,29,30)(H,31,33)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50110745
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imi...)Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)[C@@H](Cc1ccc2cc(ccc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-18(7-9-22)24(26(31)32)13-17-2-3-20-14-21(25(28)29)5-4-19(20)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23?,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Coagulation factor Xa (fXa) |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097756
(3-Carbamimidoyl-N-[(R)-(4-methyl-benzylcarbamoyl)-...)Show SMILES Cc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C24H24N4O2/c1-16-10-12-17(13-11-16)15-27-24(30)21(18-6-3-2-4-7-18)28-23(29)20-9-5-8-19(14-20)22(25)26/h2-14,21H,15H2,1H3,(H3,25,26)(H,27,30)(H,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097762
(CHEMBL162596 | N-{[(4-Aminomethyl-cyclohexylmethyl...)Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2cccc3ccccc23)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;10.09,-3.97,;8.24,-4.79,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;.1,-2.15,;.1,-.61,;1.43,.16,;2.78,-.61,;4.09,.16,;5.42,-.59,;5.42,-2.15,;4.09,-2.9,;2.76,-2.13,;7.73,-5.89,;9.67,-5.07,)| Show InChI InChI=1S/C28H33N5O2/c29-16-18-11-13-19(14-12-18)17-32-28(35)25(24-10-4-6-20-5-1-2-9-23(20)24)33-27(34)22-8-3-7-21(15-22)26(30)31/h1-10,15,18-19,25H,11-14,16-17,29H2,(H3,30,31)(H,32,35)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097768
(CHEMBL163112 | N-[(R)-2-(4-Benzyl-piperazin-1-yl)-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C27H29N5O2/c28-25(29)22-12-7-13-23(18-22)26(33)30-24(21-10-5-2-6-11-21)27(34)32-16-14-31(15-17-32)19-20-8-3-1-4-9-20/h1-13,18,24H,14-17,19H2,(H3,28,29)(H,30,33)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097778
(3-Carbamimidoyl-N-[(R)-phenyl-(3-phenyl-propylcarb...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H26N4O2/c26-23(27)20-14-7-15-21(17-20)24(30)29-22(19-12-5-2-6-13-19)25(31)28-16-8-11-18-9-3-1-4-10-18/h1-7,9-10,12-15,17,22H,8,11,16H2,(H3,26,27)(H,28,31)(H,29,30)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50084617
(((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...)Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 159 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine trypsin |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50038002
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
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Similars
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Coagulation factor Xa (fXa) |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50110749
(CHEMBL417827 | N-{[(4-Aminomethyl-cyclohexylmethyl...)Show SMILES NCC1CCC(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1 |wD:10.10,(12.47,-2,;11.14,-1.22,;9.8,-1.99,;8.48,-1.22,;7.13,-1.99,;7.14,-3.51,;5.79,-4.28,;4.46,-3.51,;3.13,-4.28,;3.13,-5.82,;1.8,-3.51,;.46,-4.27,;-.87,-3.51,;-.89,-1.97,;-2.2,-4.28,;-2.2,-5.84,;-3.52,-6.61,;-4.85,-5.85,;-4.87,-4.3,;-3.53,-3.53,;-6.2,-3.54,;-7.51,-4.33,;-6.22,-2,;1.01,-2.16,;2.34,-1.38,;2.32,.15,;1,.92,;-.34,.12,;-.32,-1.41,;8.48,-4.3,;9.8,-3.53,)| Show InChI InChI=1S/C24H31N5O2/c25-14-16-9-11-17(12-10-16)15-28-24(31)21(18-5-2-1-3-6-18)29-23(30)20-8-4-7-19(13-20)22(26)27/h1-8,13,16-17,21H,9-12,14-15,25H2,(H3,26,27)(H,28,31)(H,29,30)/t16?,17?,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Coagulation factor Xa (fXa) |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097765
(CHEMBL162635 | N-{[(4-Aminomethyl-cyclohexylmethyl...)Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;9.67,-5.07,;7.73,-5.89,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;.1,-2.15,;.1,-.61,;1.43,.16,;2.78,-.61,;2.78,-2.13,;8.24,-4.79,;10.09,-3.97,)| Show InChI InChI=1S/C24H31N5O2/c25-14-16-9-11-17(12-10-16)15-28-24(31)21(18-5-2-1-3-6-18)29-23(30)20-8-4-7-19(13-20)22(26)27/h1-8,13,16-17,21H,9-12,14-15,25H2,(H3,26,27)(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 275 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity of the compound against human Coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097761
(CHEMBL350632 | N-[(R)-2-(4-Benzoyl-piperazin-1-yl)...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H27N5O3/c28-24(29)21-12-7-13-22(18-21)25(33)30-23(19-8-3-1-4-9-19)27(35)32-16-14-31(15-17-32)26(34)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H3,28,29)(H,30,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097755
(CHEMBL164249 | N-[[(4-Aminomethyl-cyclohexylmethyl...)Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2cccc(Cl)c2)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;10.09,-3.97,;8.24,-4.79,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;.1,-2.15,;.1,-.61,;1.43,.16,;2.78,-.61,;4.09,.18,;2.78,-2.13,;7.73,-5.89,;9.67,-5.07,)| Show InChI InChI=1S/C24H30ClN5O2/c25-20-6-2-3-17(12-20)21(24(32)29-14-16-9-7-15(13-26)8-10-16)30-23(31)19-5-1-4-18(11-19)22(27)28/h1-6,11-12,15-16,21H,7-10,13-14,26H2,(H3,27,28)(H,29,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097765
(CHEMBL162635 | N-{[(4-Aminomethyl-cyclohexylmethyl...)Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;9.67,-5.07,;7.73,-5.89,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;.1,-2.15,;.1,-.61,;1.43,.16,;2.78,-.61,;2.78,-2.13,;8.24,-4.79,;10.09,-3.97,)| Show InChI InChI=1S/C24H31N5O2/c25-14-16-9-11-17(12-10-16)15-28-24(31)21(18-5-2-1-3-6-18)29-23(30)20-8-4-7-19(13-20)22(26)27/h1-8,13,16-17,21H,9-12,14-15,25H2,(H3,26,27)(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097755
(CHEMBL164249 | N-[[(4-Aminomethyl-cyclohexylmethyl...)Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2cccc(Cl)c2)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;10.09,-3.97,;8.24,-4.79,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;.1,-2.15,;.1,-.61,;1.43,.16,;2.78,-.61,;4.09,.18,;2.78,-2.13,;7.73,-5.89,;9.67,-5.07,)| Show InChI InChI=1S/C24H30ClN5O2/c25-20-6-2-3-17(12-20)21(24(32)29-14-16-9-7-15(13-26)8-10-16)30-23(31)19-5-1-4-18(11-19)22(27)28/h1-6,11-12,15-16,21H,7-10,13-14,26H2,(H3,27,28)(H,29,32)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50097771
(3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28N4O3/c29-26(30)22-12-7-13-23(18-22)27(34)31-24(19-8-3-1-4-9-19)28(35)32-16-14-21(15-17-32)25(33)20-10-5-2-6-11-20/h1-13,18,21,24H,14-17H2,(H3,29,30)(H,31,34)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50097759
(3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27N5O2/c27-24(28)20-10-7-11-21(18-20)25(32)29-23(19-8-3-1-4-9-19)26(33)31-16-14-30(15-17-31)22-12-5-2-6-13-22/h1-13,18,23H,14-17H2,(H3,27,28)(H,29,32)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50097761
(CHEMBL350632 | N-[(R)-2-(4-Benzoyl-piperazin-1-yl)...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H27N5O3/c28-24(29)21-12-7-13-22(18-21)25(33)30-23(19-8-3-1-4-9-19)27(35)32-16-14-31(15-17-32)26(34)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H3,28,29)(H,30,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097753
(CHEMBL349451 | N-{(R)-[(4-Aminomethyl-cyclohexylme...)Show SMILES NCC1CCC(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)C2CCCCC2)CC1 |wD:10.10,(14.05,-2.01,;12.63,-2.64,;11.42,-1.71,;10.02,-1.31,;8.08,-2.13,;7.12,-.64,;5.79,-1.43,;4.44,-.68,;3.13,-1.45,;3.13,-2.99,;1.8,-.71,;.45,-1.48,;-.88,-.71,;-.88,.83,;-2.21,-1.48,;-3.54,-.71,;-4.87,-1.5,;-4.87,-3.04,;-3.54,-3.81,;-2.21,-3.04,;-3.54,-5.35,;-4.87,-6.12,;-2.21,-6.12,;1.78,.83,;.47,1.6,;.47,3.14,;1.8,3.91,;3.13,3.14,;3.13,1.6,;8.59,-1.03,;10.44,-.22,)| Show InChI InChI=1S/C24H37N5O2/c25-14-16-9-11-17(12-10-16)15-28-24(31)21(18-5-2-1-3-6-18)29-23(30)20-8-4-7-19(13-20)22(26)27/h4,7-8,13,16-18,21H,1-3,5-6,9-12,14-15,25H2,(H3,26,27)(H,28,31)(H,29,30)/t16?,17?,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097752
(CHEMBL348963 | N-[(R)-(4-Aminomethyl-benzylcarbamo...)Show SMILES NCc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C24H25N5O2/c25-14-16-9-11-17(12-10-16)15-28-24(31)21(18-5-2-1-3-6-18)29-23(30)20-8-4-7-19(13-20)22(26)27/h1-13,21H,14-15,25H2,(H3,26,27)(H,28,31)(H,29,30)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50097754
(3-Carbamimidoyl-N-{(R)-2-[4-(4-fluoro-benzoyl)-pip...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H27FN4O3/c29-23-11-9-19(10-12-23)25(34)20-13-15-33(16-14-20)28(36)24(18-5-2-1-3-6-18)32-27(35)22-8-4-7-21(17-22)26(30)31/h1-12,17,20,24H,13-16H2,(H3,30,31)(H,32,35)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50097772
(3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-pyridin...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C25H26N6O2/c26-23(27)19-7-4-8-20(17-19)24(32)29-22(18-5-2-1-3-6-18)25(33)31-15-13-30(14-16-31)21-9-11-28-12-10-21/h1-12,17,22H,13-16H2,(H3,26,27)(H,29,32)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50110745
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imi...)Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)[C@@H](Cc1ccc2cc(ccc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-18(7-9-22)24(26(31)32)13-17-2-3-20-14-21(25(28)29)5-4-19(20)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23?,24-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine trypsin |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50097775
(CHEMBL163578 | N-[(R)-2-(4-Benzyl-piperidin-1-yl)-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H30N4O2/c29-26(30)23-12-7-13-24(19-23)27(33)31-25(22-10-5-2-6-11-22)28(34)32-16-14-21(15-17-32)18-20-8-3-1-4-9-20/h1-13,19,21,25H,14-18H2,(H3,29,30)(H,31,33)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097763
(CHEMBL159833 | N-{[(4-Aminomethyl-cyclohexylmethyl...)Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2ccc(cc2)-c2ccccc2)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;9.67,-5.07,;7.73,-5.89,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;2.78,-2.13,;2.78,-.61,;1.43,.16,;.1,-.61,;.1,-2.15,;1.43,1.7,;.1,2.47,;.09,4.01,;1.42,4.78,;2.76,4.01,;2.76,2.47,;8.24,-4.79,;10.09,-3.97,)| Show InChI InChI=1S/C30H35N5O2/c31-18-20-9-11-21(12-10-20)19-34-30(37)27(35-29(36)26-8-4-7-25(17-26)28(32)33)24-15-13-23(14-16-24)22-5-2-1-3-6-22/h1-8,13-17,20-21,27H,9-12,18-19,31H2,(H3,32,33)(H,34,37)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097767
(3-Carbamimidoyl-N-((R)-phenethylcarbamoyl-phenyl-m...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c25-22(26)19-12-7-13-20(16-19)23(29)28-21(18-10-5-2-6-11-18)24(30)27-15-14-17-8-3-1-4-9-17/h1-13,16,21H,14-15H2,(H3,25,26)(H,27,30)(H,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097773
(CHEMBL164376 | N-((R)-Benzylcarbamoyl-phenyl-methy...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H22N4O2/c24-21(25)18-12-7-13-19(14-18)22(28)27-20(17-10-5-2-6-11-17)23(29)26-15-16-8-3-1-4-9-16/h1-14,20H,15H2,(H3,24,25)(H,26,29)(H,27,28)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50097771
(3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28N4O3/c29-26(30)22-12-7-13-23(18-22)27(34)31-24(19-8-3-1-4-9-19)28(35)32-16-14-21(15-17-32)25(33)20-10-5-2-6-11-20/h1-13,18,21,24H,14-17H2,(H3,29,30)(H,31,34)/t24-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
PubMed
| 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine trypsin |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine protease 1
(Homo sapiens (Human)) | BDBM50097763
(CHEMBL159833 | N-{[(4-Aminomethyl-cyclohexylmethyl...)Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2ccc(cc2)-c2ccccc2)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;9.67,-5.07,;7.73,-5.89,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;2.78,-2.13,;2.78,-.61,;1.43,.16,;.1,-.61,;.1,-2.15,;1.43,1.7,;.1,2.47,;.09,4.01,;1.42,4.78,;2.76,4.01,;2.76,2.47,;8.24,-4.79,;10.09,-3.97,)| Show InChI InChI=1S/C30H35N5O2/c31-18-20-9-11-21(12-10-20)19-34-30(37)27(35-29(36)26-8-4-7-25(17-26)28(32)33)24-15-13-23(14-16-24)22-5-2-1-3-6-22/h1-8,13-17,20-21,27H,9-12,18-19,31H2,(H3,32,33)(H,34,37)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50097754
(3-Carbamimidoyl-N-{(R)-2-[4-(4-fluoro-benzoyl)-pip...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H27FN4O3/c29-23-11-9-19(10-12-23)25(34)20-13-15-33(16-14-20)28(36)24(18-5-2-1-3-6-18)32-27(35)22-8-4-7-21(17-22)26(30)31/h1-12,17,20,24H,13-16H2,(H3,30,31)(H,32,35)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Affinity for human thrombin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50097770
(3-Carbamimidoyl-N-{(R)-2-[4-(4-fluoro-phenyl)-pipe...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C26H26FN5O2/c27-21-9-11-22(12-10-21)31-13-15-32(16-14-31)26(34)23(18-5-2-1-3-6-18)30-25(33)20-8-4-7-19(17-20)24(28)29/h1-12,17,23H,13-16H2,(H3,28,29)(H,30,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50097771
(3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPER...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28N4O3/c29-26(30)22-12-7-13-23(18-22)27(34)31-24(19-8-3-1-4-9-19)28(35)32-16-14-21(15-17-32)25(33)20-10-5-2-6-11-20/h1-13,18,21,24H,14-17H2,(H3,29,30)(H,31,34)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Affinity for human thrombin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50097775
(CHEMBL163578 | N-[(R)-2-(4-Benzyl-piperidin-1-yl)-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H30N4O2/c29-26(30)23-12-7-13-24(19-23)27(33)31-25(22-10-5-2-6-11-22)28(34)32-16-14-21(15-17-32)18-20-8-3-1-4-9-20/h1-13,19,21,25H,14-18H2,(H3,29,30)(H,31,33)/t25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Affinity for human thrombin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50110748
((3-Carbamimidoyl-benzoylamino)-phenyl-acetic acid ...)Show SMILES NC(=N)N1CCC(CCOC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1 Show InChI InChI=1S/C24H30N6O3/c25-21(26)18-7-4-8-19(15-18)22(31)29-20(17-5-2-1-3-6-17)23(32)33-14-11-16-9-12-30(13-10-16)24(27)28/h1-8,15-16,20H,9-14H2,(H3,25,26)(H3,27,28)(H,29,31)/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine trypsin |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50110746
(3-Carbamimidoyl-N-{2-[4-(4-chloro-phenyl)-piperazi...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C26H26ClN5O2/c27-21-9-11-22(12-10-21)31-13-15-32(16-14-31)26(34)23(18-5-2-1-3-6-18)30-25(33)20-8-4-7-19(17-20)24(28)29/h1-12,17,23H,13-16H2,(H3,28,29)(H,30,33)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against thrombin. |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Bos taurus (bovine)) | BDBM50110746
(3-Carbamimidoyl-N-{2-[4-(4-chloro-phenyl)-piperazi...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C26H26ClN5O2/c27-21-9-11-22(12-10-21)31-13-15-32(16-14-31)26(34)23(18-5-2-1-3-6-18)30-25(33)20-8-4-7-19(17-20)24(28)29/h1-12,17,23H,13-16H2,(H3,28,29)(H,30,33)/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine trypsin |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50097759
(3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27N5O2/c27-24(28)20-10-7-11-21(18-20)25(32)29-23(19-8-3-1-4-9-19)26(33)31-16-14-30(15-17-31)22-12-5-2-6-13-22/h1-13,18,23H,14-17H2,(H3,27,28)(H,29,32)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Affinity for human thrombin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50097756
(3-Carbamimidoyl-N-[(R)-(4-methyl-benzylcarbamoyl)-...)Show SMILES Cc1ccc(CNC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)cc1 Show InChI InChI=1S/C24H24N4O2/c1-16-10-12-17(13-11-16)15-27-24(30)21(18-6-3-2-4-7-18)28-23(29)20-9-5-8-19(14-20)22(25)26/h2-14,21H,15H2,1H3,(H3,25,26)(H,27,30)(H,28,29)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Affinity for human thrombin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50110745
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imi...)Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)[C@@H](Cc1ccc2cc(ccc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-18(7-9-22)24(26(31)32)13-17-2-3-20-14-21(25(28)29)5-4-19(20)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23?,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against thrombin. |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50110747
(2-(3-Carbamimidoyl-benzoylamino)-3-naphthalen-2-yl...)Show SMILES CCOC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H23N3O3/c1-2-29-23(28)20(13-15-10-11-16-6-3-4-7-17(16)12-15)26-22(27)19-9-5-8-18(14-19)21(24)25/h3-12,14,20H,2,13H2,1H3,(H3,24,25)(H,26,27)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Protherics Molecular Design
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human Coagulation factor Xa (fXa) |
J Med Chem 45: 1221-32 (2002)
BindingDB Entry DOI: 10.7270/Q2319V5W |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50097762
(CHEMBL162596 | N-{[(4-Aminomethyl-cyclohexylmethyl...)Show SMILES NCC1CCC(CNC(=O)C(NC(=O)c2cccc(c2)C(N)=N)c2cccc3ccccc23)CC1 |(13.7,-5.77,;12.28,-6.39,;11.06,-5.47,;10.09,-3.97,;8.24,-4.79,;6.77,-4.39,;5.44,-5.19,;4.09,-4.44,;2.78,-5.21,;2.78,-6.75,;1.45,-4.46,;.1,-5.23,;-1.23,-4.46,;-1.24,-2.92,;-2.56,-5.23,;-3.9,-4.46,;-5.23,-5.25,;-5.23,-6.79,;-3.9,-7.56,;-2.56,-6.79,;-3.9,-9.1,;-5.23,-9.87,;-2.56,-9.87,;1.43,-2.92,;.1,-2.15,;.1,-.61,;1.43,.16,;2.78,-.61,;4.09,.16,;5.42,-.59,;5.42,-2.15,;4.09,-2.9,;2.76,-2.13,;7.73,-5.89,;9.67,-5.07,)| Show InChI InChI=1S/C28H33N5O2/c29-16-18-11-13-19(14-12-18)17-32-28(35)25(24-10-4-6-20-5-1-2-9-23(20)24)33-27(34)22-8-3-7-21(15-22)26(30)31/h1-10,15,18-19,25H,11-14,16-17,29H2,(H3,30,31)(H,32,35)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
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