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BDBM50446212 CHEMBL3109057

SMILES: O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1

InChI Key: InChIKey=FZFBVNWNSLGODI-ODTAKUCXSA-N

Data: 1 KI  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 3 hits for monomerid = 50446212   
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
Kallikrein 7


(Homo sapiens)
BDBM50446212
PNG
(CHEMBL3109057)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H30N2O6/c29-25(21-12-7-13-28(21)26(30)34-15-19-10-5-2-6-11-19)27-20-16-32-24-22(17-33-23(20)24)31-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2,(H,27,29)/t20-,21+,22+,23+,24+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.51E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated ...


Citation and Details

Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50446212
PNG
(CHEMBL3109057)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H30N2O6/c29-25(21-12-7-13-28(21)26(30)34-15-19-10-5-2-6-11-19)27-20-16-32-24-22(17-33-23(20)24)31-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2,(H,27,29)/t20-,21+,22+,23+,24+/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.36E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated for 5 mins p...


Citation and Details

Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50446212
PNG
(CHEMBL3109057)
Show SMILES O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H30N2O6/c29-25(21-12-7-13-28(21)26(30)34-15-19-10-5-2-6-11-19)27-20-16-32-24-22(17-33-23(20)24)31-14-18-8-3-1-4-9-18/h1-6,8-11,20-24H,7,12-17H2,(H,27,29)/t20-,21+,22+,23+,24+/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.21E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins p...


Citation and Details

Article DOI: 10.1021/ml4003698
BindingDB Entry DOI: 10.7270/Q2W37XSV
More data for this
Ligand-Target Pair