Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tissue-type plasminogen activator' and Ligand = 'BDBM50431220'   

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
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50431220 (CHEMBL2332610) Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3 |r| Show InChI InChI=1S/C64H93N17O16S3/c1-35-53(86)75-44(25-36-13-15-40(83)16-14-36)56(89)77-46(57(90)74-43(63(96)97)8-2-3-17-65)33-99-30-38-22-37-23-39(24-38)31-100-34-47(61(94)81-21-7-12-50(81)62(95)80-20-6-10-48(80)58(91)72-35)78-59(92)49-11-5-19-79(49)60(93)42(9-4-18-69-64(67)68)73-52(85)27-70-51(84)26-71-55(88)45(32-98-29-37)76-54(87)41(66)28-82/h13-16,22-24,35,41-50,82-83H,2-12,17-21,25-34,65-66H2,1H3,(H,70,84)(H,71,88)(H,72,91)(H,73,85)(H,74,90)(H,75,86)(H,76,87)(H,77,89)(H,78,92)(H,96,97)(H4,67,68,69)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 tPA using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorometric analysis				J Med Chem 56: 3742-6 (2013) Article DOI: 10.1021/jm400236j BindingDB Entry DOI: 10.7270/Q2GX4CXF
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