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BDBM50355088 CHEMBL1834754

SMILES: COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O

InChI Key: InChIKey=CJKYODJTBJDEJI-VXGBXAGGSA-N

Data: 2 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50355088   
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 5


(Homo sapiens)
BDBM50355088
PNG
(CHEMBL1834754)
Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O
Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.29E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50355088
PNG
(CHEMBL1834754)
Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O
Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.72E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50355088
PNG
(CHEMBL1834754)
Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O
Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+5n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by spectrofluorimetric assay


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50355088
PNG
(CHEMBL1834754)
Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O
Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.37E+4n/an/an/an/an/an/a



Universidade Federal do Tri£ngulo Mineiro

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by spectrofluorimetric assay


Bioorg Med Chem Lett 21: 6112-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.044
BindingDB Entry DOI: 10.7270/Q24M94ZP
More data for this
Ligand-Target Pair