BDBM50062318 (R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-methylcarbamoyl-ethyl]-2-octyl-succinamide::CHEMBL306189

SMILES: CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC

InChI Key: InChIKey=SLZZXDGACSPBLI-UTKZUKDTSA-N

Data: 3 KI

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 3 hits for monomerid = 50062318   

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))	BDBM50062318 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C24H36N4O4/c1-3-4-5-6-7-8-11-17(15-22(29)28-32)23(30)27-21(24(31)25-2)14-18-16-26-20-13-10-9-12-19(18)20/h9-10,12-13,16-17,21,26,32H,3-8,11,14-15H2,1-2H3,(H,25,31)(H,27,30)(H,28,29)/t17-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062318 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C24H36N4O4/c1-3-4-5-6-7-8-11-17(15-22(29)28-32)23(30)27-21(24(31)25-2)14-18-16-26-20-13-10-9-12-19(18)20/h9-10,12-13,16-17,21,26,32H,3-8,11,14-15H2,1-2H3,(H,25,31)(H,27,30)(H,28,29)/t17-,21+/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 PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062318 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C24H36N4O4/c1-3-4-5-6-7-8-11-17(15-22(29)28-32)23(30)27-21(24(31)25-2)14-18-16-26-20-13-10-9-12-19(18)20/h9-10,12-13,16-17,21,26,32H,3-8,11,14-15H2,1-2H3,(H,25,31)(H,27,30)(H,28,29)/t17-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair