BDBM50290445 (R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)carbamoyl)octadecanoic acid::(R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-octadecanoic acid::CHEMBL292160

SMILES: CCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C

InChI Key: InChIKey=IKZOIIFNGBJACQ-FYYLOGMGSA-N

Data: 4 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 4 hits for monomerid = 50290445   

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))	BDBM50290445 ((R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobuta...) Show SMILES CCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C26H50N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(29)30)24(31)28-23(25(32)27-5)26(2,3)4/h21,23H,6-20H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% inhibition of human recombinant stromelysin (MMP-3, HFS)				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50290445 ((R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobuta...) Show SMILES CCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C26H50N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(29)30)24(31)28-23(25(32)27-5)26(2,3)4/h21,23H,6-20H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of human MMP1				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290445 ((R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobuta...) Show SMILES CCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C26H50N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(29)30)24(31)28-23(25(32)27-5)26(2,3)4/h21,23H,6-20H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50290445 ((R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobuta...) Show SMILES CCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C26H50N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(29)30)24(31)28-23(25(32)27-5)26(2,3)4/h21,23H,6-20H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC)				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair