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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'lai' and Initial = 'ch'   
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
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50418088
PNG
(7-ETHYL-10-HYDROXY-CAMPTOTHECIN)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(O)cc12 |r|
Show InChI InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human topoisomerase 1


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00727
BindingDB Entry DOI: 10.7270/Q2028W6S
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50557284
PNG
(CHEMBL4789468)
Show SMILES CN(C)CCn1c2cc3OCOc3cc2c2c1c1ccc(Cl)cc1n(CCN(C)C)c2=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human topoisomerase 1


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00727
BindingDB Entry DOI: 10.7270/Q2028W6S
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 6.29E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human topoisomerase 1


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00727
BindingDB Entry DOI: 10.7270/Q2028W6S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)