Found 6 hits for monomerid = 50063588 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50063588
(CHEMBL3398616)Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)C1CCc2c(N)nccc2C1 |r| Show InChI InChI=1S/C28H25ClN8O/c29-24-23(17-6-9-20-21(14-17)36-37-26(20)31)34-27(35-24)22(12-15-4-2-1-3-5-15)33-28(38)18-7-8-19-16(13-18)10-11-32-25(19)30/h1-6,9-11,14,18,22H,7-8,12-13,31H2,(H2,30,32)(H,33,38)/b23-17+/t18?,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a at 25 degC |
Bioorg Med Chem Lett 25: 1635-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50063588
(CHEMBL3398616)Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)C1CCc2c(N)nccc2C1 |r| Show InChI InChI=1S/C28H25ClN8O/c29-24-23(17-6-9-20-21(14-17)36-37-26(20)31)34-27(35-24)22(12-15-4-2-1-3-5-15)33-28(38)18-7-8-19-16(13-18)10-11-32-25(19)30/h1-6,9-11,14,18,22H,7-8,12-13,31H2,(H2,30,32)(H,33,38)/b23-17+/t18?,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a at 25 degC |
Bioorg Med Chem Lett 25: 1635-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50063588
(CHEMBL3398616)Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)C1CCc2c(N)nccc2C1 |r| Show InChI InChI=1S/C28H25ClN8O/c29-24-23(17-6-9-20-21(14-17)36-37-26(20)31)34-27(35-24)22(12-15-4-2-1-3-5-15)33-28(38)18-7-8-19-16(13-18)10-11-32-25(19)30/h1-6,9-11,14,18,22H,7-8,12-13,31H2,(H2,30,32)(H,33,38)/b23-17+/t18?,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 11a at 25 degC |
Bioorg Med Chem Lett 25: 1635-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN |
More data for this Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50063588
(CHEMBL3398616)Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)C1CCc2c(N)nccc2C1 |r| Show InChI InChI=1S/C28H25ClN8O/c29-24-23(17-6-9-20-21(14-17)36-37-26(20)31)34-27(35-24)22(12-15-4-2-1-3-5-15)33-28(38)18-7-8-19-16(13-18)10-11-32-25(19)30/h1-6,9-11,14,18,22H,7-8,12-13,31H2,(H2,30,32)(H,33,38)/b23-17+/t18?,22-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human trypsin at 25 degC |
Bioorg Med Chem Lett 25: 1635-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN |
More data for this Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50063588
(CHEMBL3398616)Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)C1CCc2c(N)nccc2C1 |r| Show InChI InChI=1S/C28H25ClN8O/c29-24-23(17-6-9-20-21(14-17)36-37-26(20)31)34-27(35-24)22(12-15-4-2-1-3-5-15)33-28(38)18-7-8-19-16(13-18)10-11-32-25(19)30/h1-6,9-11,14,18,22H,7-8,12-13,31H2,(H2,30,32)(H,33,38)/b23-17+/t18?,22-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human trypsin at 25 degC |
Bioorg Med Chem Lett 25: 1635-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN |
More data for this Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50063588
(CHEMBL3398616)Show SMILES Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)C1CCc2c(N)nccc2C1 |r| Show InChI InChI=1S/C28H25ClN8O/c29-24-23(17-6-9-20-21(14-17)36-37-26(20)31)34-27(35-24)22(12-15-4-2-1-3-5-15)33-28(38)18-7-8-19-16(13-18)10-11-32-25(19)30/h1-6,9-11,14,18,22H,7-8,12-13,31H2,(H2,30,32)(H,33,38)/b23-17+/t18?,22-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of human trypsin at 25 degC |
Bioorg Med Chem Lett 25: 1635-42 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN |
More data for this Ligand-Target Pair | |