Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-14' and Ligand = 'BDBM50518291'   

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
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50518291 (CHEMBL4584813) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCCN([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r| Show InChI InChI=1S/C70H72N10O18S2/c1-97-51-26-18-45(19-27-51)47-22-30-53(31-23-47)99(93,94)79(59(65(85)75-91)34-40-77-67(87)55-12-3-4-13-56(55)68(77)88)42-38-71-61(81)16-8-36-73-63(83)49-10-7-11-50(44-49)64(84)74-37-9-17-62(82)72-39-43-80(100(95,96)54-32-24-48(25-33-54)46-20-28-52(98-2)29-21-46)60(66(86)76-92)35-41-78-69(89)57-14-5-6-15-58(57)70(78)90/h3-7,10-15,18-33,44,59-60,91-92H,8-9,16-17,34-43H2,1-2H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,86)/t59-,60-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs follo...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
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