BDBM50069221 (2R,3R)-N*4*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1*-dihydroxy-2-methyl-3-(3-phenyl-propyl)-succinamide::CHEMBL169084

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

InChI Key: InChIKey=RCJJPUINEATAJF-GCKMJXCFSA-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 = 50069221   

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))	BDBM50069221 ((2R,3R)-N*4*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C21H33N3O5/c1-20(2,3)16(18(26)22-5)23-17(25)15(21(4,28)19(27)24-29)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15-16,28-29H,9,12-13H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16+,21+/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 metalloprotease-9				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))	BDBM50069221 ((2R,3R)-N*4*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C21H33N3O5/c1-20(2,3)16(18(26)22-5)23-17(25)15(21(4,28)19(27)24-29)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15-16,28-29H,9,12-13H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50069221 ((2R,3R)-N*4*-((S)-2,2-Dimethyl-1-methylcarbamoyl-p...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C21H33N3O5/c1-20(2,3)16(18(26)22-5)23-17(25)15(21(4,28)19(27)24-29)13-9-12-14-10-7-6-8-11-14/h6-8,10-11,15-16,28-29H,9,12-13H2,1-5H3,(H,22,26)(H,23,25)(H,24,27)/t15-,16+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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