Found 246 hits with Last Name = 'klingler' and Initial = 'o' 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)) | BDBM13662
(3-Oxybenzamide 48 | 4-chloro-3-[2-(2,4-dichlorophe...)Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H28Cl3N3O3/c1-35-24-14-20(15-25(26(24)30)36-13-8-19-2-3-21(28)16-23(19)29)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148952
(CHEMBL429152 | N-[4-(1-{2-[3-(4-Carbamimidoyl-phen...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C31H30N6O4/c1-20(35-28(38)19-34-31(40)37-25-16-12-22(13-17-25)29(32)33)21-10-14-24(15-11-21)36-30(39)23-6-5-9-27(18-23)41-26-7-3-2-4-8-26/h2-18,20H,19H2,1H3,(H3,32,33)(H,35,38)(H,36,39)(H2,34,37,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13668
(3-Oxybenzamide 54 | 4-chloro-3-[2-(4-chlorophenyl)...)Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1 Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13663
(3-Oxybenzamide 49 | 3-[2-(2,4-dichlorophenyl)ethox...)Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1C)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C28H31Cl2N3O3/c1-19-26(35-2)15-22(16-27(19)36-14-9-21-3-4-23(29)17-25(21)30)28(34)32-18-20-7-12-33(13-8-20)24-5-10-31-11-6-24/h3-6,10-11,15-17,20H,7-9,12-14,18H2,1-2H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148947
(CHEMBL339880 | Piperidine-4-carboxylic acid [4-(1-...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)C2CCNCC2)cc1 Show InChI InChI=1S/C24H31N7O3/c1-15(16-2-6-19(7-3-16)30-23(33)18-10-12-27-13-11-18)29-21(32)14-28-24(34)31-20-8-4-17(5-9-20)22(25)26/h2-9,15,18,27H,10-14H2,1H3,(H3,25,26)(H,29,32)(H,30,33)(H2,28,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148950
(CHEMBL332753 | N-[1-(3-Bromo-4-morpholin-4-yl-phen...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(N2CCOCC2)c(Br)c1 Show InChI InChI=1S/C22H27BrN6O3/c1-14(16-4-7-19(18(23)12-16)29-8-10-32-11-9-29)27-20(30)13-26-22(31)28-17-5-2-15(3-6-17)21(24)25/h2-7,12,14H,8-11,13H2,1H3,(H3,24,25)(H,27,30)(H2,26,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13664
(3-Oxybenzamide 50 | 3-[2-(2,4-dichlorophenyl)ethox...)Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H29Cl2N3O3/c1-34-25-5-3-21(16-26(25)35-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-7,11-12,16-17,19H,8-10,13-15,18H2,1H3,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148945
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-{1-[4-(3-m...)Show SMILES COc1cccc(COc2ccc(cc2)C(C)NC(=O)CNC(=O)Nc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C26H29N5O4/c1-17(19-8-12-22(13-9-19)35-16-18-4-3-5-23(14-18)34-2)30-24(32)15-29-26(33)31-21-10-6-20(7-11-21)25(27)28/h3-14,17H,15-16H2,1-2H3,(H3,27,28)(H,30,32)(H2,29,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13615
(3-Oxybenzamide 1 | 4-chloro-3-[2-(5-chloropyridin-...)Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)nc1 Show InChI InChI=1S/C25H26Cl2N4O2/c26-20-2-3-21(29-17-20)9-14-33-24-15-19(1-4-23(24)27)25(32)30-16-18-7-12-31(13-8-18)22-5-10-28-11-6-22/h1-6,10-11,15,17-18H,7-9,12-14,16H2,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148953
(4-(1-{2-[3-(4-Carbamimidoyl-phenyl)-ureido]-acetyl...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C25H26N6O3/c1-16(17-7-9-19(10-8-17)24(33)30-20-5-3-2-4-6-20)29-22(32)15-28-25(34)31-21-13-11-18(12-14-21)23(26)27/h2-14,16H,15H2,1H3,(H3,26,27)(H,29,32)(H,30,33)(H2,28,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13659
(3-Oxybenzamide 45 | 4-bromo-3-[2-(2,4-dichlorophen...)Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Br)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H28BrCl2N3O3/c1-35-24-14-20(15-25(26(24)28)36-13-8-19-2-3-21(29)16-23(19)30)27(34)32-17-18-6-11-33(12-7-18)22-4-9-31-10-5-22/h2-5,9-10,14-16,18H,6-8,11-13,17H2,1H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50126575
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(3-oxo-...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C20H22N6O4/c1-11(13-4-7-16-15(8-13)26-18(28)10-30-16)24-17(27)9-23-20(29)25-14-5-2-12(3-6-14)19(21)22/h2-8,11H,9-10H2,1H3,(H3,21,22)(H,24,27)(H,26,28)(H2,23,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa) |
Bioorg Med Chem Lett 13: 1463-7 (2003)
BindingDB Entry DOI: 10.7270/Q2Q52P1B |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148958
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-{1-[4-(3-c...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C25H26ClN5O3/c1-16(18-7-11-22(12-8-18)34-15-17-3-2-4-20(26)13-17)30-23(32)14-29-25(33)31-21-9-5-19(6-10-21)24(27)28/h2-13,16H,14-15H2,1H3,(H3,27,28)(H,30,32)(H2,29,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148960
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-((S)-1-nap...)Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H23N5O2/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)26-20(28)13-25-22(29)27-19-10-8-16(9-11-19)21(23)24/h2-12,14H,13H2,1H3,(H3,23,24)(H,26,28)(H2,25,27,29)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148949
(CHEMBL339200 | N-[4-(1-{2-[3-(4-Carbamimidoyl-phen...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)c2cccc(C)c2)cc1 Show InChI InChI=1S/C26H28N6O3/c1-16-4-3-5-20(14-16)25(34)31-21-10-6-18(7-11-21)17(2)30-23(33)15-29-26(35)32-22-12-8-19(9-13-22)24(27)28/h3-14,17H,15H2,1-2H3,(H3,27,28)(H,30,33)(H,31,34)(H2,29,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50126572
(CHEMBL35754 | N-[1-(2,4-Bis-trifluoromethyl-phenyl...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19F6N5O2/c1-10(14-7-4-12(19(21,22)23)8-15(14)20(24,25)26)30-16(32)9-29-18(33)31-13-5-2-11(3-6-13)17(27)28/h2-8,10H,9H2,1H3,(H3,27,28)(H,30,32)(H2,29,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa) |
Bioorg Med Chem Lett 13: 1463-7 (2003)
BindingDB Entry DOI: 10.7270/Q2Q52P1B |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50126571
(CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...)Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1cccc(Br)c1 Show InChI InChI=1S/C18H20BrN5O2/c1-11(13-3-2-4-14(19)9-13)23-16(25)10-22-18(26)24-15-7-5-12(6-8-15)17(20)21/h2-9,11H,10H2,1H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa) |
Bioorg Med Chem Lett 13: 1463-7 (2003)
BindingDB Entry DOI: 10.7270/Q2Q52P1B |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50126571
(CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...)Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1cccc(Br)c1 Show InChI InChI=1S/C18H20BrN5O2/c1-11(13-3-2-4-14(19)9-13)23-16(25)10-22-18(26)24-15-7-5-12(6-8-15)17(20)21/h2-9,11H,10H2,1H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
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PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13652
(3-Oxybenzamide 38 | 3-[2-(2,4-dichlorophenyl)ethox...)Show SMILES CSc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H29Cl2N3O2S/c1-35-26-5-3-21(16-25(26)34-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-7,11-12,16-17,19H,8-10,13-15,18H2,1H3,(H,31,33) | PDB
MMDB
Reactome pathway
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13645
(3-Oxybenzamide 31 | 4-amino-3-[2-(2,4-dichlorophen...)Show SMILES Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C26H28Cl2N4O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17,29H2,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148954
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(4-morp...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(N2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C23H27F3N6O3/c1-14(16-4-7-19(18(12-16)23(24,25)26)32-8-10-35-11-9-32)30-20(33)13-29-22(34)31-17-5-2-15(3-6-17)21(27)28/h2-7,12,14H,8-11,13H2,1H3,(H3,27,28)(H,30,33)(H2,29,31,34) | PDB
MMDB
Reactome pathway
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50098711
(CHEMBL17675 | N-(Carboxy-phenyl-methyl)-3-{2-[4-(4...)Show SMILES NC(N)=Nc1ccc(cc1)-c1[nH]c(=O)n(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(O)=O)c2ccccc2)c1O |wU:27.27,wD:19.19,(-3.46,-7.61,;-3.44,-6.07,;-4.76,-5.29,;-2.11,-5.31,;-.78,-6.1,;-.78,-7.66,;.54,-8.43,;1.89,-7.68,;1.89,-6.15,;.58,-5.37,;3.22,-8.47,;3.57,-9.94,;5.1,-10.1,;5.86,-11.43,;5.73,-8.69,;7.06,-7.92,;8.4,-8.66,;8.37,-10.2,;9.72,-7.89,;11.05,-8.66,;11.05,-10.2,;12.38,-10.96,;12.38,-12.5,;13.71,-10.2,;12.38,-7.89,;12.36,-6.34,;13.71,-8.66,;15.04,-7.89,;16.39,-8.62,;17.71,-7.85,;16.36,-10.17,;15.04,-6.3,;13.69,-5.57,;13.69,-4.01,;15.01,-3.22,;16.36,-3.99,;16.36,-5.54,;4.57,-7.66,;4.96,-6.15,)| Show InChI InChI=1S/C24H25N7O8/c25-23(26)27-14-8-6-13(7-9-14)18-21(36)31(24(39)30-18)11-16(32)28-15(10-17(33)34)20(35)29-19(22(37)38)12-4-2-1-3-5-12/h1-9,15,19,36H,10-11H2,(H,28,32)(H,29,35)(H,30,39)(H,33,34)(H,37,38)(H4,25,26,27)/t15-,19-/m0/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of 125 I-fibrinogen binding to glycoprotein IIb/IIIa receptor |
J Med Chem 44: 1158-76 (2001)
BindingDB Entry DOI: 10.7270/Q2BG2N8R |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148961
(2-Benzyloxy-5-(1-{2-[3-(4-carbamimidoyl-phenyl)-ur...)Show SMILES COC(=O)c1cc(ccc1OCc1ccccc1)C(C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C27H29N5O5/c1-17(31-24(33)15-30-27(35)32-21-11-8-19(9-12-21)25(28)29)20-10-13-23(22(14-20)26(34)36-2)37-16-18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3,(H3,28,29)(H,31,33)(H2,30,32,35) | PDB
MMDB
Reactome pathway
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148951
(CHEMBL330943 | N-[4-(1-{2-[3-(4-Carbamimidoyl-phen...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H26N6O3/c1-16(17-7-11-20(12-8-17)30-24(33)19-5-3-2-4-6-19)29-22(32)15-28-25(34)31-21-13-9-18(10-14-21)23(26)27/h2-14,16H,15H2,1H3,(H3,26,27)(H,29,32)(H,30,33)(H2,28,31,34) | PDB
MMDB
Reactome pathway
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PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50126579
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...)Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50126579
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...)Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa) |
Bioorg Med Chem Lett 13: 1463-7 (2003)
BindingDB Entry DOI: 10.7270/Q2Q52P1B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13619
(3-Oxybenzamide 5 | 3-[2-(4-bromophenyl)ethoxy]-4-c...)Show SMILES Clc1ccc(cc1OCCc1ccc(Br)cc1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C26H27BrClN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13618
(3-Oxybenzamide 4 | 3-[2-(5-chloropyridin-2-yl)etho...)Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C25H26ClFN4O2/c26-20-2-3-21(29-17-20)9-14-33-24-15-19(1-4-23(24)27)25(32)30-16-18-7-12-31(13-8-18)22-5-10-28-11-6-22/h1-6,10-11,15,17-18H,7-9,12-14,16H2,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13642
(3-Oxybenzamide 28 | 3-[2-(2,4-dichlorophenyl)ethox...)Show SMILES Cc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H29Cl2N3O2/c1-19-2-3-22(16-26(19)34-15-10-21-4-5-23(28)17-25(21)29)27(33)31-18-20-8-13-32(14-9-20)24-6-11-30-12-7-24/h2-7,11-12,16-17,20H,8-10,13-15,18H2,1H3,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13658
(3-Oxybenzamide 44 | 7-[2-(2,4-dichlorophenyl)ethox...)Show SMILES Clc1ccc(CCOc2cc(cc3OCOc23)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C27H27Cl2N3O4/c28-21-2-1-19(23(29)15-21)7-12-34-24-13-20(14-25-26(24)36-17-35-25)27(33)31-16-18-5-10-32(11-6-18)22-3-8-30-9-4-22/h1-4,8-9,13-15,18H,5-7,10-12,16-17H2,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13617
(3-Oxybenzamide 3 | 3-[2-(4-chlorophenyl)ethoxy]-4-...)Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C26H27ClFN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32) | PDB
MMDB
Reactome pathway
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13665
(3-Oxybenzamide 51 | 3-[2-(4-chlorophenyl)ethoxy]-4...)Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H30ClN3O3/c1-33-25-7-4-22(18-26(25)34-17-12-20-2-5-23(28)6-3-20)27(32)30-19-21-10-15-31(16-11-21)24-8-13-29-14-9-24/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13667
(3-Oxybenzamide 53 | 4-chloro-3-[2-(2,4-dichlorophe...)Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C26H26Cl3N3O2/c27-21-3-1-19(24(29)16-21)9-14-34-25-15-20(2-4-23(25)28)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148946
(4-(1-{2-[3-(4-Carbamimidoyl-phenyl)-ureido]-acetyl...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(cc1)C(=O)Nc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C31H30N6O4/c1-20(35-28(38)19-34-31(40)37-24-16-14-22(15-17-24)29(32)33)21-10-12-23(13-11-21)30(39)36-25-6-5-9-27(18-25)41-26-7-3-2-4-8-26/h2-18,20H,19H2,1H3,(H3,32,33)(H,35,38)(H,36,39)(H2,34,37,40) | PDB
MMDB
Reactome pathway
KEGG
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13644
(3-Oxybenzamide 30 | 4-cyano-3-[2-(2,4-dichlorophen...)Show SMILES Clc1ccc(CCOc2cc(ccc2C#N)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C27H26Cl2N4O2/c28-23-4-3-20(25(29)16-23)9-14-35-26-15-21(1-2-22(26)17-30)27(34)32-18-19-7-12-33(13-8-19)24-5-10-31-11-6-24/h1-6,10-11,15-16,19H,7-9,12-14,18H2,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148956
(CHEMBL123336 | Cyclopropanecarboxylic acid [4-(1-{...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(NC(=O)C2CC2)cc1 Show InChI InChI=1S/C22H26N6O3/c1-13(14-4-8-17(9-5-14)27-21(30)16-2-3-16)26-19(29)12-25-22(31)28-18-10-6-15(7-11-18)20(23)24/h4-11,13,16H,2-3,12H2,1H3,(H3,23,24)(H,26,29)(H,27,30)(H2,25,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13646
(3-Oxybenzamide 32 | 3-[2-(2,4-dichlorophenyl)ethox...)Show SMILES CNc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H30Cl2N4O2/c1-30-25-5-3-21(16-26(25)35-15-10-20-2-4-22(28)17-24(20)29)27(34)32-18-19-8-13-33(14-9-19)23-6-11-31-12-7-23/h2-7,11-12,16-17,19,30H,8-10,13-15,18H2,1H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13656
(3-Oxybenzamide 42 | 3-[2-(2,4-dichlorophenyl)ethox...)Show SMILES COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OC)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C28H31Cl2N3O4/c1-35-25-15-21(16-26(27(25)36-2)37-14-9-20-3-4-22(29)17-24(20)30)28(34)32-18-19-7-12-33(13-8-19)23-5-10-31-11-6-23/h3-6,10-11,15-17,19H,7-9,12-14,18H2,1-2H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13616
(3-Oxybenzamide 2 | 3-[2-(2,4-dichlorophenyl)ethoxy...)Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C26H26Cl2FN3O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13651
(3-Oxybenzamide 37 | 5-[2-(2,4-dichlorophenyl)ethox...)Show SMILES NC(=O)c1cc(OCCc2ccc(Cl)cc2Cl)cc(c1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C27H28Cl2N4O3/c28-22-2-1-19(25(29)16-22)7-12-36-24-14-20(26(30)34)13-21(15-24)27(35)32-17-18-5-10-33(11-6-18)23-3-8-31-9-4-23/h1-4,8-9,13-16,18H,5-7,10-12,17H2,(H2,30,34)(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13666
(3-Oxybenzamide 52 | 3-[2-(5-chloropyridin-2-yl)eth...)Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C26H29ClN4O3/c1-33-24-5-2-20(16-25(24)34-15-10-22-4-3-21(27)18-29-22)26(32)30-17-19-8-13-31(14-9-19)23-6-11-28-12-7-23/h2-7,11-12,16,18-19H,8-10,13-15,17H2,1H3,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13673
(3-Oxybenzamide 59 | 3-[2-(2,4-dichlorophenyl)ethox...)Show SMILES COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccnc(C)c1 Show InChI InChI=1S/C28H31Cl2N3O3/c1-19-15-24(7-11-31-19)33-12-8-20(9-13-33)18-32-28(34)22-4-6-26(35-2)27(16-22)36-14-10-21-3-5-23(29)17-25(21)30/h3-7,11,15-17,20H,8-10,12-14,18H2,1-2H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13653
(3-Oxybenzamide 39 | 3-[2-(2,4-dichlorophenyl)ethox...)Show SMILES CCOc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C28H31Cl2N3O3/c1-2-35-26-6-4-22(17-27(26)36-16-11-21-3-5-23(29)18-25(21)30)28(34)32-19-20-9-14-33(15-10-20)24-7-12-31-13-8-24/h3-8,12-13,17-18,20H,2,9-11,14-16,19H2,1H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
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PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50126570
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(2,...)Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCCOc2c1 Show InChI InChI=1S/C20H23N5O4/c1-12(14-4-7-16-17(10-14)29-9-8-28-16)24-18(26)11-23-20(27)25-15-5-2-13(3-6-15)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa) |
Bioorg Med Chem Lett 13: 1463-7 (2003)
BindingDB Entry DOI: 10.7270/Q2Q52P1B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13629
(3-Oxybenzamide 15 | 3-[2-(4-bromophenyl)ethoxy]-4-...)Show SMILES Fc1ccc(cc1OCCc1ccc(Br)cc1)C(=O)NCC1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C26H27BrFN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC sid
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PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13647
(3-Oxybenzamide 33 | 3-[2-(2,4-dichlorophenyl)ethox...)Show SMILES Clc1ccc(CCOc2cc(ccc2NC=O)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C27H28Cl2N4O3/c28-22-3-1-20(24(29)16-22)9-14-36-26-15-21(2-4-25(26)32-18-34)27(35)31-17-19-7-12-33(13-8-19)23-5-10-30-11-6-23/h1-6,10-11,15-16,18-19H,7-9,12-14,17H2,(H,31,35)(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| KEGG
PC cid
PC sid
UniChem
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| Article
PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM13640
(3-Oxybenzamide 26 | 4-bromo-3-[2-(2,4-dichlorophen...)Show SMILES Clc1ccc(CCOc2cc(ccc2Br)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1 Show InChI InChI=1S/C26H26BrCl2N3O2/c27-23-4-2-20(15-25(23)34-14-9-19-1-3-21(28)16-24(19)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Coagulation factor X |
Bioorg Med Chem Lett 14: 2801-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.059
BindingDB Entry DOI: 10.7270/Q2XS5WW7 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148966
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(3,4-di...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H19Cl2N5O2/c1-10(12-4-7-14(19)15(20)8-12)24-16(26)9-23-18(27)25-13-5-2-11(3-6-13)17(21)22/h2-8,10H,9H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148959
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(4-phen...)Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H25N5O3/c1-16(17-9-13-21(14-10-17)32-20-5-3-2-4-6-20)28-22(30)15-27-24(31)29-19-11-7-18(8-12-19)23(25)26/h2-14,16H,15H2,1H3,(H3,25,26)(H,28,30)(H2,27,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50148944
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-{1-[4-(4-m...)Show SMILES COc1ccc(Oc2ccc(cc2)C(C)NC(=O)CNC(=O)Nc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C25H27N5O4/c1-16(17-5-9-21(10-6-17)34-22-13-11-20(33-2)12-14-22)29-23(31)15-28-25(32)30-19-7-3-18(4-8-19)24(26)27/h3-14,16H,15H2,1-2H3,(H3,26,27)(H,29,31)(H2,28,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
In vitro inhibition of human coagulation factor VIIa |
Bioorg Med Chem Lett 14: 3715-20 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.006
BindingDB Entry DOI: 10.7270/Q2PG1R6T |
More data for this
Ligand-Target Pair | |
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