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BDBM50167828 CHEMBL3798972

SMILES: COC1=C(C(=O)c2c(O)c3C(=O)O[C@@H](C)Cc3c(O)c2C1=O)c1c(O)c2C(=O)C3=C(C[C@H](C)OC3=O)C(=O)c2cc1OC

InChI Key: InChIKey=POMVVDYVRRMZDL-IUCAKERBSA-N

Data: 2 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 2 hits for monomerid = 50167828   
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)
BDBM50167828
PNG
(CHEMBL3798972)
Show SMILES COC1=C(C(=O)c2c(O)c3C(=O)O[C@@H](C)Cc3c(O)c2C1=O)c1c(O)c2C(=O)C3=C(C[C@H](C)OC3=O)C(=O)c2cc1OC
Show InChI InChI=1S/C30H22O13/c1-8-5-10-15(29(38)42-8)23(33)14-12(21(10)31)7-13(40-3)17(24(14)34)20-26(36)19-18(27(37)28(20)41-4)22(32)11-6-9(2)43-30(39)16(11)25(19)35/h7-9,32,34-35H,5-6H2,1-4H3/t8-,9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.22E+4n/an/an/an/an/an/an/an/a



Quaid-I-Azam University

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein-7


Eur J Med Chem 116: 290-317 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.025
BindingDB Entry DOI: 10.7270/Q2NZ89HN
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50167828
PNG
(CHEMBL3798972)
Show SMILES COC1=C(C(=O)c2c(O)c3C(=O)O[C@@H](C)Cc3c(O)c2C1=O)c1c(O)c2C(=O)C3=C(C[C@H](C)OC3=O)C(=O)c2cc1OC
Show InChI InChI=1S/C30H22O13/c1-8-5-10-15(29(38)42-8)23(33)14-12(21(10)31)7-13(40-3)17(24(14)34)20-26(36)19-18(27(37)28(20)41-4)22(32)11-6-9(2)43-30(39)16(11)25(19)35/h7-9,32,34-35H,5-6H2,1-4H3/t8-,9-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Quaid-I-Azam University

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein-5


Eur J Med Chem 116: 290-317 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.025
BindingDB Entry DOI: 10.7270/Q2NZ89HN
More data for this
Ligand-Target Pair