Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50456786'   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50456786 (CHEMBL4213804) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(cc3[C@@]1(C)CCC[C@@]2(C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1 |r| Show InChI InChI=1S/C52H60N4O5S/c1-34(2)42-32-39-24-25-47-51(5,26-15-27-52(47,6)50(59)55-44(30-37-18-9-7-10-19-37)48(57)53-40-22-13-16-35(3)28-40)43(39)33-46(42)62(60,61)56-45(31-38-20-11-8-12-21-38)49(58)54-41-23-14-17-36(4)29-41/h7-14,16-23,28-29,32-34,44-45,47,56H,15,24-27,30-31H2,1-6H3,(H,53,57)(H,54,58)(H,55,59)/t44-,45-,47-,51-,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP3 (Tyr18 to Cys477 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrat...				Eur J Med Chem 138: 979-992 (2017) Article DOI: 10.1016/j.ejmech.2017.07.020 BindingDB Entry DOI: 10.7270/Q2R49TBN
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