null

SMILES: CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1

InChI Key: InChIKey=UXIXVZBLORSHJF-KBWCOIMZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50070235   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50070235 (2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...) Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H45N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-21,27,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against gelatinase-B(MMP-9).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50070235 (2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...) Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H45N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-21,27,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against collagenase-1(MMP-1).				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50070235 (2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...) Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H45N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-21,27,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against stromelysin-3 (MMP-3)				Bioorg Med Chem Lett 8: 1157-62 (1999) BindingDB Entry DOI: 10.7270/Q26W997Q
					More data for this Ligand-Target Pair