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BDBM50288681 (4-Benzoylamino-butyl)-[(S)-2-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-4-phenyl-butyl]-phosphinic acid::CHEMBL321005

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)c1ccccc1)C(=O)Nc1ccccc1

InChI Key: InChIKey=SJVNLZPBUGMURM-VEEOACQBSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50288681   
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))
BDBM50288681
PNG
((4-Benzoylamino-butyl)-[(S)-2-((S)-3-methyl-1-phen...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H44N3O5P/c1-26(2)24-31(34(40)36-30-18-10-5-11-19-30)37-33(39)29(21-20-27-14-6-3-7-15-27)25-43(41,42)23-13-12-22-35-32(38)28-16-8-4-9-17-28/h3-11,14-19,26,29,31H,12-13,20-25H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)(H,41,42)/t29-,31+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of stromelysin-1 (MMP-3).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288681
PNG
((4-Benzoylamino-butyl)-[(S)-2-((S)-3-methyl-1-phen...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H44N3O5P/c1-26(2)24-31(34(40)36-30-18-10-5-11-19-30)37-33(39)29(21-20-27-14-6-3-7-15-27)25-43(41,42)23-13-12-22-35-32(38)28-16-8-4-9-17-28/h3-11,14-19,26,29,31H,12-13,20-25H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)(H,41,42)/t29-,31+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair