Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasminogen' and Ligand = 'BDBM50431216'   

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
Plasminogen (Homo sapiens (Human))	BDBM50431216 (CHEMBL2332605) 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)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:49.53,39.41,15.18,4.4,67.69,78.79,wD:44.46,28.37,21.21,8.7,60.61,61.64,72.73,(35.87,-21.17,;35.39,-22.64,;36.42,-23.78,;33.89,-22.96,;33.41,-24.43,;31.91,-24.74,;30.88,-23.61,;31.35,-22.14,;29.38,-23.93,;28.98,-25.42,;27.31,-25.23,;26.98,-23.59,;28.43,-22.76,;28.71,-21.25,;30.13,-20.65,;27.49,-20.32,;27.67,-18.79,;29.09,-18.19,;26.07,-20.92,;24.84,-19.99,;25.03,-18.46,;23.43,-20.59,;23.32,-22.14,;21.64,-22.27,;21.01,-20.72,;22.26,-19.63,;22.26,-18.08,;23.6,-17.31,;20.94,-17.31,;19.6,-18.08,;18.27,-17.31,;16.94,-18.07,;15.6,-17.3,;14.28,-18.06,;14.28,-19.59,;12.94,-17.29,;20.94,-15.78,;19.58,-15,;18.27,-15.75,;19.58,-13.48,;20.93,-12.7,;18.23,-12.71,;18.23,-11.16,;19.56,-10.39,;16.91,-10.39,;15.57,-11.17,;16.91,-8.84,;15.59,-8.08,;14.25,-8.85,;15.59,-6.53,;16.91,-5.77,;18.26,-6.54,;14.26,-5.77,;14.26,-4.23,;15.59,-3.46,;12.93,-3.46,;12.93,-1.91,;34.45,-25.56,;33.97,-27.03,;35.96,-25.24,;36.98,-26.38,;36.51,-27.85,;35,-28.17,;37.54,-28.99,;38.49,-26.06,;38.96,-24.6,;39.52,-27.2,;41.02,-26.88,;41.49,-25.42,;42.06,-28.03,;41.58,-29.49,;43.56,-27.7,;44.59,-28.85,;44.12,-30.31,;45.15,-31.45,;46.09,-28.52,;46.57,-27.06,;47.13,-29.67,;48.63,-29.34,;49.11,-27.88,;50.61,-27.56,;51.75,-28.58,;53.08,-27.81,;52.76,-26.32,;53.66,-25.07,;53.03,-23.67,;51.5,-23.51,;50.6,-24.75,;51.23,-26.16,;49.66,-30.49,;51.16,-30.17,;49.18,-31.95,)| Show InChI InChI=1S/C57H89N17O15S3/c1-27(2)20-36(48(80)72-44(31(6)75)53(85)65-30(5)47(79)70-39(25-91)50(82)69-37(56(88)89)21-32-23-62-34-13-8-7-12-33(32)34)68-51(83)41-15-11-19-74(41)55(87)40(26-92)71-52(84)42-16-10-18-73(42)54(86)35(14-9-17-61-57(59)60)67-46(78)29(4)63-45(77)28(3)64-49(81)38(24-90)66-43(76)22-58/h7-8,12-13,23,27-31,35-42,44,62,75,90-92H,9-11,14-22,24-26,58H2,1-6H3,(H,63,77)(H,64,81)(H,65,85)(H,66,76)(H,67,78)(H,68,83)(H,69,82)(H,70,79)(H,71,84)(H,72,80)(H,88,89)(H4,59,60,61)/t28-,29-,30-,31+,35-,36-,37-,38-,39-,40-,41-,42-,44-/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	>1.20E+5	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