BDBM50308815 CHEMBL590393::tert-Butyl(S)-1-((S)-1-(hydroxyamino)-5-(3-nitroguanidino)-1-oxopentan-2-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate

SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO

InChI Key: InChIKey=LMQOLPSUIMIYSE-RYUDHWBXSA-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 = 50308815   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50308815 (CHEMBL590393 | tert-Butyl(S)-1-((S)-1-(hydroxyamin...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.23| Show InChI InChI=1S/C17H33N7O7/c1-10(2)9-12(21-16(27)31-17(3,4)5)13(25)20-11(14(26)23-28)7-6-8-19-15(18)22-24(29)30/h10-12,28H,6-9H2,1-5H3,(H,20,25)(H,21,27)(H,23,26)(H3,18,19,22)/t11-,12-/m0/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	n/a	n/a	5.68E+6	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 by spectrophotometry				Bioorg Med Chem 18: 887-95 (2010) Article DOI: 10.1016/j.bmc.2009.11.036 BindingDB Entry DOI: 10.7270/Q2J67H1Z
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50308815 (CHEMBL590393 | tert-Butyl(S)-1-((S)-1-(hydroxyamin...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)NO |r,w:23.23| Show InChI InChI=1S/C17H33N7O7/c1-10(2)9-12(21-16(27)31-17(3,4)5)13(25)20-11(14(26)23-28)7-6-8-19-15(18)22-24(29)30/h10-12,28H,6-9H2,1-5H3,(H,20,25)(H,21,27)(H,23,26)(H3,18,19,22)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of APN from pig kidney microsomes by spectrophotometry				Bioorg Med Chem 18: 887-95 (2010) Article DOI: 10.1016/j.bmc.2009.11.036 BindingDB Entry DOI: 10.7270/Q2J67H1Z
					More data for this Ligand-Target Pair