Found 7 hits for monomerid = 50017902 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 |
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50017902
(CHEMBL3289034)Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(15.95,-2.09,;15.95,-3.63,;17.28,-4.4,;17.28,-5.94,;15.95,-6.71,;14.62,-5.94,;14.62,-4.4,;15.95,-8.25,;17.28,-9.02,;14.62,-9.02,;13.28,-8.25,;13.28,-6.71,;11.95,-5.94,;11.95,-4.4,;10.61,-3.63,;10.61,-2.09,;9.28,-1.32,;7.95,-2.09,;7.95,-3.63,;9.28,-4.4,;6.61,-1.32,;5.28,-2.09,;6.61,.22,;10.61,-6.71,;10.61,-8.25,;9.28,-9.02,;7.95,-8.25,;6.61,-9.02,;5.28,-8.25,;5.28,-6.71,;6.61,-5.94,;7.95,-6.71,;3.95,-5.94,;2.61,-6.71,;3.95,-4.4,;11.95,-9.02,)| Show InChI InChI=1S/C27H30N6O3/c28-19-7-1-18(2-8-19)27(34)33-20-13-23(35-21-9-3-16(4-10-21)25(29)30)15-24(14-20)36-22-11-5-17(6-12-22)26(31)32/h3-6,9-15,18-19H,1-2,7-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t18-,19- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Bos taurus) | BDBM50017902
(CHEMBL3289034)Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(15.95,-2.09,;15.95,-3.63,;17.28,-4.4,;17.28,-5.94,;15.95,-6.71,;14.62,-5.94,;14.62,-4.4,;15.95,-8.25,;17.28,-9.02,;14.62,-9.02,;13.28,-8.25,;13.28,-6.71,;11.95,-5.94,;11.95,-4.4,;10.61,-3.63,;10.61,-2.09,;9.28,-1.32,;7.95,-2.09,;7.95,-3.63,;9.28,-4.4,;6.61,-1.32,;5.28,-2.09,;6.61,.22,;10.61,-6.71,;10.61,-8.25,;9.28,-9.02,;7.95,-8.25,;6.61,-9.02,;5.28,-8.25,;5.28,-6.71,;6.61,-5.94,;7.95,-6.71,;3.95,-5.94,;2.61,-6.71,;3.95,-4.4,;11.95,-9.02,)| Show InChI InChI=1S/C27H30N6O3/c28-19-7-1-18(2-8-19)27(34)33-20-13-23(35-21-9-3-16(4-10-21)25(29)30)15-24(14-20)36-22-11-5-17(6-12-22)26(31)32/h3-6,9-15,18-19H,1-2,7-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t18-,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 503 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description Inhibition of bovine plasma factor 10a using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH substrate |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50017902
(CHEMBL3289034)Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(15.95,-2.09,;15.95,-3.63,;17.28,-4.4,;17.28,-5.94,;15.95,-6.71,;14.62,-5.94,;14.62,-4.4,;15.95,-8.25,;17.28,-9.02,;14.62,-9.02,;13.28,-8.25,;13.28,-6.71,;11.95,-5.94,;11.95,-4.4,;10.61,-3.63,;10.61,-2.09,;9.28,-1.32,;7.95,-2.09,;7.95,-3.63,;9.28,-4.4,;6.61,-1.32,;5.28,-2.09,;6.61,.22,;10.61,-6.71,;10.61,-8.25,;9.28,-9.02,;7.95,-8.25,;6.61,-9.02,;5.28,-8.25,;5.28,-6.71,;6.61,-5.94,;7.95,-6.71,;3.95,-5.94,;2.61,-6.71,;3.95,-4.4,;11.95,-9.02,)| Show InChI InChI=1S/C27H30N6O3/c28-19-7-1-18(2-8-19)27(34)33-20-13-23(35-21-9-3-16(4-10-21)25(29)30)15-24(14-20)36-22-11-5-17(6-12-22)26(31)32/h3-6,9-15,18-19H,1-2,7-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t18-,19- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description Inhibition of human thrombin using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50017902
(CHEMBL3289034)Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(15.95,-2.09,;15.95,-3.63,;17.28,-4.4,;17.28,-5.94,;15.95,-6.71,;14.62,-5.94,;14.62,-4.4,;15.95,-8.25,;17.28,-9.02,;14.62,-9.02,;13.28,-8.25,;13.28,-6.71,;11.95,-5.94,;11.95,-4.4,;10.61,-3.63,;10.61,-2.09,;9.28,-1.32,;7.95,-2.09,;7.95,-3.63,;9.28,-4.4,;6.61,-1.32,;5.28,-2.09,;6.61,.22,;10.61,-6.71,;10.61,-8.25,;9.28,-9.02,;7.95,-8.25,;6.61,-9.02,;5.28,-8.25,;5.28,-6.71,;6.61,-5.94,;7.95,-6.71,;3.95,-5.94,;2.61,-6.71,;3.95,-4.4,;11.95,-9.02,)| Show InChI InChI=1S/C27H30N6O3/c28-19-7-1-18(2-8-19)27(34)33-20-13-23(35-21-9-3-16(4-10-21)25(29)30)15-24(14-20)36-22-11-5-17(6-12-22)26(31)32/h3-6,9-15,18-19H,1-2,7-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t18-,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50017902
(CHEMBL3289034)Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(15.95,-2.09,;15.95,-3.63,;17.28,-4.4,;17.28,-5.94,;15.95,-6.71,;14.62,-5.94,;14.62,-4.4,;15.95,-8.25,;17.28,-9.02,;14.62,-9.02,;13.28,-8.25,;13.28,-6.71,;11.95,-5.94,;11.95,-4.4,;10.61,-3.63,;10.61,-2.09,;9.28,-1.32,;7.95,-2.09,;7.95,-3.63,;9.28,-4.4,;6.61,-1.32,;5.28,-2.09,;6.61,.22,;10.61,-6.71,;10.61,-8.25,;9.28,-9.02,;7.95,-8.25,;6.61,-9.02,;5.28,-8.25,;5.28,-6.71,;6.61,-5.94,;7.95,-6.71,;3.95,-5.94,;2.61,-6.71,;3.95,-4.4,;11.95,-9.02,)| Show InChI InChI=1S/C27H30N6O3/c28-19-7-1-18(2-8-19)27(34)33-20-13-23(35-21-9-3-16(4-10-21)25(29)30)15-24(14-20)36-22-11-5-17(6-12-22)26(31)32/h3-6,9-15,18-19H,1-2,7-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t18-,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50017902
(CHEMBL3289034)Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(15.95,-2.09,;15.95,-3.63,;17.28,-4.4,;17.28,-5.94,;15.95,-6.71,;14.62,-5.94,;14.62,-4.4,;15.95,-8.25,;17.28,-9.02,;14.62,-9.02,;13.28,-8.25,;13.28,-6.71,;11.95,-5.94,;11.95,-4.4,;10.61,-3.63,;10.61,-2.09,;9.28,-1.32,;7.95,-2.09,;7.95,-3.63,;9.28,-4.4,;6.61,-1.32,;5.28,-2.09,;6.61,.22,;10.61,-6.71,;10.61,-8.25,;9.28,-9.02,;7.95,-8.25,;6.61,-9.02,;5.28,-8.25,;5.28,-6.71,;6.61,-5.94,;7.95,-6.71,;3.95,-5.94,;2.61,-6.71,;3.95,-4.4,;11.95,-9.02,)| Show InChI InChI=1S/C27H30N6O3/c28-19-7-1-18(2-8-19)27(34)33-20-13-23(35-21-9-3-16(4-10-21)25(29)30)15-24(14-20)36-22-11-5-17(6-12-22)26(31)32/h3-6,9-15,18-19H,1-2,7-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t18-,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50017902
(CHEMBL3289034)Show SMILES N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(15.95,-2.09,;15.95,-3.63,;17.28,-4.4,;17.28,-5.94,;15.95,-6.71,;14.62,-5.94,;14.62,-4.4,;15.95,-8.25,;17.28,-9.02,;14.62,-9.02,;13.28,-8.25,;13.28,-6.71,;11.95,-5.94,;11.95,-4.4,;10.61,-3.63,;10.61,-2.09,;9.28,-1.32,;7.95,-2.09,;7.95,-3.63,;9.28,-4.4,;6.61,-1.32,;5.28,-2.09,;6.61,.22,;10.61,-6.71,;10.61,-8.25,;9.28,-9.02,;7.95,-8.25,;6.61,-9.02,;5.28,-8.25,;5.28,-6.71,;6.61,-5.94,;7.95,-6.71,;3.95,-5.94,;2.61,-6.71,;3.95,-4.4,;11.95,-9.02,)| Show InChI InChI=1S/C27H30N6O3/c28-19-7-1-18(2-8-19)27(34)33-20-13-23(35-21-9-3-16(4-10-21)25(29)30)15-24(14-20)36-22-11-5-17(6-12-22)26(31)32/h3-6,9-15,18-19H,1-2,7-8,28H2,(H3,29,30)(H3,31,32)(H,33,34)/t18-,19- | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013 BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this Ligand-Target Pair | |