null

SMILES: CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@H](CC(C)C)CC(=O)NO

InChI Key: InChIKey=URVVMIUWONGKFU-IAGOWNOFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50062330   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062330 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...) Show SMILES CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C21H28N4O4/c1-13(2)10-16(12-18(26)25-29)20(27)24-17(21(28)22-3)11-15-7-4-6-14-8-5-9-23-19(14)15/h4-9,13,16-17,29H,10-12H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062330 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...) Show SMILES CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C21H28N4O4/c1-13(2)10-16(12-18(26)25-29)20(27)24-17(21(28)22-3)11-15-7-4-6-14-8-5-9-23-19(14)15/h4-9,13,16-17,29H,10-12H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50062330 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((R)-1-methylcarb...) Show SMILES CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C21H28N4O4/c1-13(2)10-16(12-18(26)25-29)20(27)24-17(21(28)22-3)11-15-7-4-6-14-8-5-9-23-19(14)15/h4-9,13,16-17,29H,10-12H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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