BDBM50106669 (2R)-5-Nitroguanyl-2-({(2R,3S)-2-(cyclohexylmethyl)-3-cyclopropyl-3-[formyl(hydroxy)amino]propanoyl}-amino)-N-(1,3-thiazol-2-yl)pentamide::CHEMBL135931

SMILES: NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](C1CC1)N(O)C=O)C(=O)Nc1nccs1

InChI Key: InChIKey=HZRAYMWLJLWNAA-QYZOEREBSA-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 = 50106669   

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))	BDBM50106669 ((2R)-5-Nitroguanyl-2-({(2R,3S)-2-(cyclohexylmethyl...) Show SMILES NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](C1CC1)N(O)C=O)C(=O)Nc1nccs1 |w:6.6| Show InChI InChI=1S/C23H36N8O6S/c24-22(29-31(36)37)25-10-4-7-18(21(34)28-23-26-11-12-38-23)27-20(33)17(13-15-5-2-1-3-6-15)19(16-8-9-16)30(35)14-32/h11-12,14-19,35H,1-10,13H2,(H,27,33)(H3,24,25,29)(H,26,28,34)/t17-,18+,19+/m1/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	602	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-9				J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50106669 ((2R)-5-Nitroguanyl-2-({(2R,3S)-2-(cyclohexylmethyl...) Show SMILES NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](C1CC1)N(O)C=O)C(=O)Nc1nccs1 |w:6.6| Show InChI InChI=1S/C23H36N8O6S/c24-22(29-31(36)37)25-10-4-7-18(21(34)28-23-26-11-12-38-23)27-20(33)17(13-15-5-2-1-3-6-15)19(16-8-9-16)30(35)14-32/h11-12,14-19,35H,1-10,13H2,(H,27,33)(H3,24,25,29)(H,26,28,34)/t17-,18+,19+/m1/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	144	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-1				J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50106669 ((2R)-5-Nitroguanyl-2-({(2R,3S)-2-(cyclohexylmethyl...) Show SMILES NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](C1CC1)N(O)C=O)C(=O)Nc1nccs1 |w:6.6| Show InChI InChI=1S/C23H36N8O6S/c24-22(29-31(36)37)25-10-4-7-18(21(34)28-23-26-11-12-38-23)27-20(33)17(13-15-5-2-1-3-6-15)19(16-8-9-16)30(35)14-32/h11-12,14-19,35H,1-10,13H2,(H,27,33)(H3,24,25,29)(H,26,28,34)/t17-,18+,19+/m1/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	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-3				J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106669 ((2R)-5-Nitroguanyl-2-({(2R,3S)-2-(cyclohexylmethyl...) Show SMILES NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](C1CC1)N(O)C=O)C(=O)Nc1nccs1 |w:6.6| Show InChI InChI=1S/C23H36N8O6S/c24-22(29-31(36)37)25-10-4-7-18(21(34)28-23-26-11-12-38-23)27-20(33)17(13-15-5-2-1-3-6-15)19(16-8-9-16)30(35)14-32/h11-12,14-19,35H,1-10,13H2,(H,27,33)(H3,24,25,29)(H,26,28,34)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of TACE using scintillation proximity assay (SPA)				J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5
					More data for this Ligand-Target Pair