Found 2 hits for monomerid = 50431218 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 |
Factor XIIa
(Homo sapiens (Human)) | BDBM50431218
(CHEMBL2332606)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:43.52,21.21,4.4,73.75,91.94,wD:53.58,28.37,15.18,8.7,64.66,85.88,(34.21,-17.42,;34.19,-18.94,;35.53,-19.73,;32.84,-19.7,;32.82,-21.23,;31.48,-21.98,;30.16,-21.2,;30.17,-19.66,;28.82,-21.95,;28.87,-23.49,;27.22,-23.79,;26.43,-22.32,;27.57,-21.09,;27.4,-19.56,;28.64,-18.65,;25.99,-18.95,;24.75,-19.86,;23.34,-19.25,;25.82,-17.42,;24.41,-16.81,;23.17,-17.71,;24.16,-15.28,;25.41,-14.36,;24.62,-12.88,;22.97,-13.17,;22.73,-14.83,;21.43,-15.65,;21.48,-17.19,;20.07,-14.93,;18.76,-15.75,;18.81,-17.28,;17.51,-18.1,;17.57,-19.64,;16.26,-20.45,;14.9,-19.74,;16.31,-21.99,;20,-13.39,;18.65,-12.67,;18.59,-11.13,;17.35,-13.49,;15.98,-12.77,;14.68,-13.58,;14.73,-15.12,;13.32,-12.86,;13.27,-11.32,;14.57,-10.51,;14.68,-8.97,;16.16,-8.6,;16.98,-9.91,;15.99,-11.08,;12.01,-13.68,;10.66,-12.96,;10.6,-11.42,;9.35,-13.77,;9.41,-15.31,;8.1,-16.13,;7.99,-13.05,;7.93,-11.52,;9.24,-10.7,;6.58,-10.79,;6.52,-9.25,;34.15,-22.02,;34.13,-23.57,;35.48,-21.28,;36.82,-22.07,;36.8,-23.62,;38.11,-24.4,;38.09,-25.96,;36.74,-26.72,;39.4,-26.73,;38.14,-21.32,;38.16,-19.8,;39.48,-22.11,;40.81,-21.37,;40.82,-19.85,;42.18,-19.08,;42.22,-17.57,;43.57,-16.83,;44.88,-17.63,;46.23,-16.87,;44.85,-19.16,;43.51,-19.9,;42.15,-22.16,;42.13,-23.72,;43.47,-21.42,;44.81,-22.21,;44.8,-23.78,;43.43,-24.53,;46.14,-21.47,;46.15,-19.95,;47.48,-22.26,;48.8,-21.51,;48.82,-20,;50.18,-19.24,;50.19,-17.72,;51.55,-16.95,;51.57,-15.43,;50.15,-22.31,;51.47,-21.57,;50.14,-23.88,)| Show InChI InChI=1S/C61H96N20O16S3/c1-32(2)22-39(52(88)73-36(16-17-47(64)83)51(87)75-40(23-33-12-14-35(82)15-13-33)53(89)78-43(29-99)55(91)74-38(60(96)97)8-3-4-18-62)77-56(92)45-10-7-21-81(45)59(95)44(30-100)79-57(93)46-11-6-20-80(46)58(94)37(9-5-19-68-61(65)66)71-49(85)27-69-50(86)41(24-34-26-67-31-70-34)76-54(90)42(28-98)72-48(84)25-63/h12-15,26,31-32,36-46,82,98-100H,3-11,16-25,27-30,62-63H2,1-2H3,(H2,64,83)(H,67,70)(H,69,86)(H,71,85)(H,72,84)(H,73,88)(H,74,91)(H,75,87)(H,76,90)(H,77,92)(H,78,89)(H,79,93)(H,96,97)(H4,65,66,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne EPFL
Curated by ChEMBL
| Assay Description Inhibition of human biotinylated beta factor 12a expressed in Escherichia coli TG1 using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity... |
J Med Chem 56: 3742-6 (2013)
Article DOI: 10.1021/jm400236j BindingDB Entry DOI: 10.7270/Q2GX4CXF |
More data for this Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50431218
(CHEMBL2332606)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:43.52,21.21,4.4,73.75,91.94,wD:53.58,28.37,15.18,8.7,64.66,85.88,(34.21,-17.42,;34.19,-18.94,;35.53,-19.73,;32.84,-19.7,;32.82,-21.23,;31.48,-21.98,;30.16,-21.2,;30.17,-19.66,;28.82,-21.95,;28.87,-23.49,;27.22,-23.79,;26.43,-22.32,;27.57,-21.09,;27.4,-19.56,;28.64,-18.65,;25.99,-18.95,;24.75,-19.86,;23.34,-19.25,;25.82,-17.42,;24.41,-16.81,;23.17,-17.71,;24.16,-15.28,;25.41,-14.36,;24.62,-12.88,;22.97,-13.17,;22.73,-14.83,;21.43,-15.65,;21.48,-17.19,;20.07,-14.93,;18.76,-15.75,;18.81,-17.28,;17.51,-18.1,;17.57,-19.64,;16.26,-20.45,;14.9,-19.74,;16.31,-21.99,;20,-13.39,;18.65,-12.67,;18.59,-11.13,;17.35,-13.49,;15.98,-12.77,;14.68,-13.58,;14.73,-15.12,;13.32,-12.86,;13.27,-11.32,;14.57,-10.51,;14.68,-8.97,;16.16,-8.6,;16.98,-9.91,;15.99,-11.08,;12.01,-13.68,;10.66,-12.96,;10.6,-11.42,;9.35,-13.77,;9.41,-15.31,;8.1,-16.13,;7.99,-13.05,;7.93,-11.52,;9.24,-10.7,;6.58,-10.79,;6.52,-9.25,;34.15,-22.02,;34.13,-23.57,;35.48,-21.28,;36.82,-22.07,;36.8,-23.62,;38.11,-24.4,;38.09,-25.96,;36.74,-26.72,;39.4,-26.73,;38.14,-21.32,;38.16,-19.8,;39.48,-22.11,;40.81,-21.37,;40.82,-19.85,;42.18,-19.08,;42.22,-17.57,;43.57,-16.83,;44.88,-17.63,;46.23,-16.87,;44.85,-19.16,;43.51,-19.9,;42.15,-22.16,;42.13,-23.72,;43.47,-21.42,;44.81,-22.21,;44.8,-23.78,;43.43,-24.53,;46.14,-21.47,;46.15,-19.95,;47.48,-22.26,;48.8,-21.51,;48.82,-20,;50.18,-19.24,;50.19,-17.72,;51.55,-16.95,;51.57,-15.43,;50.15,-22.31,;51.47,-21.57,;50.14,-23.88,)| Show InChI InChI=1S/C61H96N20O16S3/c1-32(2)22-39(52(88)73-36(16-17-47(64)83)51(87)75-40(23-33-12-14-35(82)15-13-33)53(89)78-43(29-99)55(91)74-38(60(96)97)8-3-4-18-62)77-56(92)45-10-7-21-81(45)59(95)44(30-100)79-57(93)46-11-6-20-80(46)58(94)37(9-5-19-68-61(65)66)71-49(85)27-69-50(86)41(24-34-26-67-31-70-34)76-54(90)42(28-98)72-48(84)25-63/h12-15,26,31-32,36-46,82,98-100H,3-11,16-25,27-30,62-63H2,1-2H3,(H2,64,83)(H,67,70)(H,69,86)(H,71,85)(H,72,84)(H,73,88)(H,74,91)(H,75,87)(H,76,90)(H,77,92)(H,78,89)(H,79,93)(H,96,97)(H4,65,66,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne EPFL
Curated by ChEMBL
| Assay Description Inhibition of human plasmin using H-D-Val-Leu-Lys-AMC as substrate assessed as residual activity by fluorescence plate reader analysis |
J Med Chem 56: 3742-6 (2013)
Article DOI: 10.1021/jm400236j BindingDB Entry DOI: 10.7270/Q2GX4CXF |
More data for this Ligand-Target Pair | |