BDBM50069219 (2R,3R)-N*4*-((S)-4-Amino-1-methylcarbamoyl-butyl)-2,N*1*-dihydroxy-2-methyl-3-(3-phenyl-propyl)-succinamide::CHEMBL168601

SMILES: CNC(=O)[C@H](CCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO

InChI Key: InChIKey=IGWLPPHUCLZWTC-TWOQFEAHSA-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 = 50069219   

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))	BDBM50069219 ((2R,3R)-N*4*-((S)-4-Amino-1-methylcarbamoyl-butyl)...) Show SMILES CNC(=O)[C@H](CCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H32N4O5/c1-20(28,19(27)24-29)15(11-6-10-14-8-4-3-5-9-14)17(25)23-16(12-7-13-21)18(26)22-2/h3-5,8-9,15-16,28-29H,6-7,10-13,21H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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))	BDBM50069219 ((2R,3R)-N*4*-((S)-4-Amino-1-methylcarbamoyl-butyl)...) Show SMILES CNC(=O)[C@H](CCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H32N4O5/c1-20(28,19(27)24-29)15(11-6-10-14-8-4-3-5-9-14)17(25)23-16(12-7-13-21)18(26)22-2/h3-5,8-9,15-16,28-29H,6-7,10-13,21H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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))	BDBM50069219 ((2R,3R)-N*4*-((S)-4-Amino-1-methylcarbamoyl-butyl)...) Show SMILES CNC(=O)[C@H](CCCN)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C20H32N4O5/c1-20(28,19(27)24-29)15(11-6-10-14-8-4-3-5-9-14)17(25)23-16(12-7-13-21)18(26)22-2/h3-5,8-9,15-16,28-29H,6-7,10-13,21H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	103	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