BindingDB logo
myBDB logout

BDBM50078949 (1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-methyl-pentyl}-phosphinic acid::CHEMBL85744

SMILES: CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=ZGTPJERIIBYCFG-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50078949   
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
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078949
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H41N4O6P/c1-23(2)17-27(33(40)37-30(32(35)39)19-26-20-36-29-16-10-9-15-28(26)29)22-45(42,43)31(18-24-11-5-3-6-12-24)38-34(41)44-21-25-13-7-4-8-14-25/h3-16,20,23,27,30-31,36H,17-19,21-22H2,1-2H3,(H2,35,39)(H,37,40)(H,38,41)(H,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50078949
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H41N4O6P/c1-23(2)17-27(33(40)37-30(32(35)39)19-26-20-36-29-16-10-9-15-28(26)29)22-45(42,43)31(18-24-11-5-3-6-12-24)38-34(41)44-21-25-13-7-4-8-14-25/h3-16,20,23,27,30-31,36H,17-19,21-22H2,1-2H3,(H2,35,39)(H,37,40)(H,38,41)(H,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078949
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H41N4O6P/c1-23(2)17-27(33(40)37-30(32(35)39)19-26-20-36-29-16-10-9-15-28(26)29)22-45(42,43)31(18-24-11-5-3-6-12-24)38-34(41)44-21-25-13-7-4-8-14-25/h3-16,20,23,27,30-31,36H,17-19,21-22H2,1-2H3,(H2,35,39)(H,37,40)(H,38,41)(H,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50078949
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H41N4O6P/c1-23(2)17-27(33(40)37-30(32(35)39)19-26-20-36-29-16-10-9-15-28(26)29)22-45(42,43)31(18-24-11-5-3-6-12-24)38-34(41)44-21-25-13-7-4-8-14-25/h3-16,20,23,27,30-31,36H,17-19,21-22H2,1-2H3,(H2,35,39)(H,37,40)(H,38,41)(H,42,43)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
192n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50078949
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H41N4O6P/c1-23(2)17-27(33(40)37-30(32(35)39)19-26-20-36-29-16-10-9-15-28(26)29)22-45(42,43)31(18-24-11-5-3-6-12-24)38-34(41)44-21-25-13-7-4-8-14-25/h3-16,20,23,27,30-31,36H,17-19,21-22H2,1-2H3,(H2,35,39)(H,37,40)(H,38,41)(H,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
202n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50078949
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H41N4O6P/c1-23(2)17-27(33(40)37-30(32(35)39)19-26-20-36-29-16-10-9-15-28(26)29)22-45(42,43)31(18-24-11-5-3-6-12-24)38-34(41)44-21-25-13-7-4-8-14-25/h3-16,20,23,27,30-31,36H,17-19,21-22H2,1-2H3,(H2,35,39)(H,37,40)(H,38,41)(H,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-7 Matrilysin


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair