BDBM50106652 (2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-ylamino)carbonyl]butyl}-2-(cyclohexylmethyl)-6,6,6-triflouro-3-[formyl(hydroxy)amino]-hexanamide::CHEMBL134849

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

InChI Key: InChIKey=JLPMPXKOGZSSRK-SQNIBIBYSA-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 = 50106652   

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))	BDBM50106652 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) Show SMILES NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](CCC(F)(F)F)N(O)C=O)C(=O)Nc1nccs1 |w:6.6| Show InChI InChI=1S/C23H35F3N8O6S/c24-23(25,26)9-8-18(33(38)14-35)16(13-15-5-2-1-3-6-15)19(36)30-17(20(37)31-22-29-11-12-41-22)7-4-10-28-21(27)32-34(39)40/h11-12,14-18,38H,1-10,13H2,(H,30,36)(H3,27,28,32)(H,29,31,37)/t16-,17+,18+/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	49	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))	BDBM50106652 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) Show SMILES NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](CCC(F)(F)F)N(O)C=O)C(=O)Nc1nccs1 |w:6.6| Show InChI InChI=1S/C23H35F3N8O6S/c24-23(25,26)9-8-18(33(38)14-35)16(13-15-5-2-1-3-6-15)19(36)30-17(20(37)31-22-29-11-12-41-22)7-4-10-28-21(27)32-34(39)40/h11-12,14-18,38H,1-10,13H2,(H,30,36)(H3,27,28,32)(H,29,31,37)/t16-,17+,18+/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	110	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))	BDBM50106652 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) Show SMILES NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](CCC(F)(F)F)N(O)C=O)C(=O)Nc1nccs1 |w:6.6| Show InChI InChI=1S/C23H35F3N8O6S/c24-23(25,26)9-8-18(33(38)14-35)16(13-15-5-2-1-3-6-15)19(36)30-17(20(37)31-22-29-11-12-41-22)7-4-10-28-21(27)32-34(39)40/h11-12,14-18,38H,1-10,13H2,(H,30,36)(H3,27,28,32)(H,29,31,37)/t16-,17+,18+/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	214	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))	BDBM50106652 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) Show SMILES NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](CCC(F)(F)F)N(O)C=O)C(=O)Nc1nccs1 |w:6.6| Show InChI InChI=1S/C23H35F3N8O6S/c24-23(25,26)9-8-18(33(38)14-35)16(13-15-5-2-1-3-6-15)19(36)30-17(20(37)31-22-29-11-12-41-22)7-4-10-28-21(27)32-34(39)40/h11-12,14-18,38H,1-10,13H2,(H,30,36)(H3,27,28,32)(H,29,31,37)/t16-,17+,18+/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	5	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