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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 50001238   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Subtilisin/kexin type 7


(Homo sapiens (Human))
BDBM50349829
PNG
(CHEMBL1813183)
Show SMILES CCC(C)CC(C)CC(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H]3O[C@@]3(C(=C)CO)C(=O)C=C12
Show InChI InChI=1S/C26H40O5/c1-8-15(2)11-16(3)12-17(4)23(29)30-21-10-9-18(5)25(7)20(21)13-22(28)26(19(6)14-27)24(25)31-26/h13,15-18,21,24,27H,6,8-12,14H2,1-5,7H3/t15?,16?,17?,18-,21+,24+,25+,26-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 462n/an/an/an/an/an/a



Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubat...


J Nat Prod 74: 1353-7 (2011)


Article DOI: 10.1021/np1005983
BindingDB Entry DOI: 10.7270/Q2PZ596S
More data for this
Ligand-Target Pair
Subtilisin/kexin type 7


(Homo sapiens (Human))
BDBM35525
PNG
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)
Show SMILES Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubat...


J Nat Prod 74: 1353-7 (2011)


Article DOI: 10.1021/np1005983
BindingDB Entry DOI: 10.7270/Q2PZ596S
More data for this
Ligand-Target Pair
Subtilisin/kexin type 7


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 2.46E+4n/an/an/an/an/an/a



Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubat...


J Nat Prod 74: 1353-7 (2011)


Article DOI: 10.1021/np1005983
BindingDB Entry DOI: 10.7270/Q2PZ596S
More data for this
Ligand-Target Pair