BDBM50142071 CHEMBL3758580

SMILES: CCCCCCCCCC(=O)C1=C2C=C3C=C(C[C@H](C)O)N(CCO)C=C3C(=O)[C@]2(C)OC1=O

InChI Key: InChIKey=LCKNTKXGESXWHN-XRHLQHRESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50142071   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50142071 (CHEMBL3758580) Show SMILES CCCCCCCCCC(=O)C1=C2C=C3C=C(C[C@H](C)O)N(CCO)C=C3C(=O)[C@]2(C)OC1=O |r,c:11,25,t:13,15| Show InChI InChI=1S/C27H37NO6/c1-4-5-6-7-8-9-10-11-23(31)24-22-16-19-15-20(14-18(2)30)28(12-13-29)17-21(19)25(32)27(22,3)34-26(24)33/h15-18,29-30H,4-14H2,1-3H3/t18-,27+/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	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of MMP-3 (unknown origin)				J Nat Prod 78: 2917-23 (2015) BindingDB Entry DOI: 10.7270/Q28054GX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50142071 (CHEMBL3758580) Show SMILES CCCCCCCCCC(=O)C1=C2C=C3C=C(C[C@H](C)O)N(CCO)C=C3C(=O)[C@]2(C)OC1=O |r,c:11,25,t:13,15| Show InChI InChI=1S/C27H37NO6/c1-4-5-6-7-8-9-10-11-23(31)24-22-16-19-15-20(14-18(2)30)28(12-13-29)17-21(19)25(32)27(22,3)34-26(24)33/h15-18,29-30H,4-14H2,1-3H3/t18-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of caspase-1 (unknown origin)				J Nat Prod 78: 2917-23 (2015) BindingDB Entry DOI: 10.7270/Q28054GX
					More data for this Ligand-Target Pair