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PDB code 2G1Q

Compile Data Set for Download or QSAR

Similar Ligands in BindingDB*

Found 2 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM24067
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8a | 3-(2,5-difluo...)
Show SMILES CNC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5|
Show InChI InChI=1/C17H15F2N3O/c1-20-17(23)22-16(11-5-3-2-4-6-11)10-15(21-22)13-9-12(18)7-8-14(13)19/h2-9,16H,10H2,1H3,(H,20,23)
PDB
MMDB

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UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Citation and Details
More data for this
Ligand-Target Pair
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM24067
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8a | 3-(2,5-difluo...)
Show SMILES CNC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5|
Show InChI InChI=1/C17H15F2N3O/c1-20-17(23)22-16(11-5-3-2-4-6-11)10-15(21-22)13-9-12(18)7-8-14(13)19/h2-9,16H,10H2,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Citation and Details
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output