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Compile Data Set for Download or QSAR

Found 3 hits from Connecticut College   
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
Luciferase


(Luciola lateralis)
BDBM50370458
PNG
(CHEMBL610240)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COS(=O)(=O)NC(=O)c2csc(n2)-c2nc3ccc(O)cc3s2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



Connecticut College

Curated by ChEMBL


Assay Description
Inhibition constant against luciferase with respect to natural substrate luciferin


Bioorg Med Chem Lett 15: 3860-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.115
BindingDB Entry DOI: 10.7270/Q20002T6
More data for this
Ligand-Target Pair
Luciferase


(Luciola lateralis)
BDBM50370458
PNG
(CHEMBL610240)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COS(=O)(=O)NC(=O)c2csc(n2)-c2nc3ccc(O)cc3s2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Connecticut College

Curated by ChEMBL


Assay Description
Inhibition constant against luciferase with respect to natural substrate Mg-ATP


Bioorg Med Chem Lett 15: 3860-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.115
BindingDB Entry DOI: 10.7270/Q20002T6
More data for this
Ligand-Target Pair
Luciferase


(Luciola lateralis)
BDBM50370458
PNG
(CHEMBL610240)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COS(=O)(=O)NC(=O)c2csc(n2)-c2nc3ccc(O)cc3s2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
340n/an/an/an/an/an/an/an/a



Connecticut College

Curated by ChEMBL


Assay Description
Inhibition constant against luciferase with respect to luciferyl-adenylate


Bioorg Med Chem Lett 15: 3860-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.115
BindingDB Entry DOI: 10.7270/Q20002T6
More data for this
Ligand-Target Pair