BDBM50069213 (2R,3R)-N*4*-((S)-5-Amino-1-phenethylcarbamoyl-pentyl)-2,N*1*-dihydroxy-2-methyl-3-(3-phenyl-propyl)-succinamide::CHEMBL167233

SMILES: C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccccc1)C(=O)NO

InChI Key: InChIKey=VZLQRHVGUTYXBQ-IBGGVINMSA-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 = 50069213   

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))	BDBM50069213 ((2R,3R)-N*4*-((S)-5-Amino-1-phenethylcarbamoyl-pen...) Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccccc1)C(=O)NO Show InChI InChI=1S/C28H40N4O5/c1-28(36,27(35)32-37)23(16-10-15-21-11-4-2-5-12-21)25(33)31-24(17-8-9-19-29)26(34)30-20-18-22-13-6-3-7-14-22/h2-7,11-14,23-24,36-37H,8-10,15-20,29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity was evaluated against matrix metalloproteinase-9				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50069213 ((2R,3R)-N*4*-((S)-5-Amino-1-phenethylcarbamoyl-pen...) Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccccc1)C(=O)NO Show InChI InChI=1S/C28H40N4O5/c1-28(36,27(35)32-37)23(16-10-15-21-11-4-2-5-12-21)25(33)31-24(17-8-9-19-29)26(34)30-20-18-22-13-6-3-7-14-22/h2-7,11-14,23-24,36-37H,8-10,15-20,29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity was evaluated against matrix metalloproteinase-1				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50069213 ((2R,3R)-N*4*-((S)-5-Amino-1-phenethylcarbamoyl-pen...) Show SMILES C[C@@](O)([C@@H](CCCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCc1ccccc1)C(=O)NO Show InChI InChI=1S/C28H40N4O5/c1-28(36,27(35)32-37)23(16-10-15-21-11-4-2-5-12-21)25(33)31-24(17-8-9-19-29)26(34)30-20-18-22-13-6-3-7-14-22/h2-7,11-14,23-24,36-37H,8-10,15-20,29H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t23-,24-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity against human matrix metalloproteinase-3.				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair