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BDBM50043587 1N-[1-benzylcarbamoyl-2-phenyl-(1S)-ethyl]-2-[1-amino-2-methyl-(1R)-propylcarboxamido]-4-methyl-(2S)-pentanamide::CHEMBL132762

SMILES: CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=BMRADOMTKGXKQT-KMDXXIMOSA-N

Data: 2 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 2 hits for monomerid = 50043587   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))
BDBM50043587
PNG
(1N-[1-benzylcarbamoyl-2-phenyl-(1S)-ethyl]-2-[1-am...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H38N4O3/c1-18(2)15-22(31-27(34)24(28)19(3)4)26(33)30-23(16-20-11-7-5-8-12-20)25(32)29-17-21-13-9-6-10-14-21/h5-14,18-19,22-24H,15-17,28H2,1-4H3,(H,29,32)(H,30,33)(H,31,34)/t22-,23-,24+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50043587
PNG
(1N-[1-benzylcarbamoyl-2-phenyl-(1S)-ethyl]-2-[1-am...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H38N4O3/c1-18(2)15-22(31-27(34)24(28)19(3)4)26(33)30-23(16-20-11-7-5-8-12-20)25(32)29-17-21-13-9-6-10-14-21/h5-14,18-19,22-24H,15-17,28H2,1-4H3,(H,29,32)(H,30,33)(H,31,34)/t22-,23-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase


J Med Chem 36: 4293-301 (1994)


Article DOI: 10.1021/jm00078a019
BindingDB Entry DOI: 10.7270/Q2Z31XQ9
More data for this
Ligand-Target Pair