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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kinesin-like protein KIF18A' and Ligand = 'BDBM50404037'   
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
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50404037
PNG
(CHEMBL5287302)
Show SMILES OC(=O)c1cc(ccc1C1C2C=CC(=O)C=C2Oc2cc(O)ccc12)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:50.56,c:12,16|
Show InChI InChI=1S/C40H42N6O7/c41-25-45-40(43-14-5-19-52-30-7-4-6-26(20-30)24-46-17-2-1-3-18-46)44-16-15-42-38(49)27-8-11-31(34(21-27)39(50)51)37-32-12-9-28(47)22-35(32)53-36-23-29(48)10-13-33(36)37/h4,6-13,20-23,32,37,48H,1-3,5,14-19,24H2,(H,42,49)(H,50,51)(H2,43,44,45)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of pig brain farnesyl transferase


Citation and Details
More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50404037
PNG
(CHEMBL5287302)
Show SMILES OC(=O)c1cc(ccc1C1C2C=CC(=O)C=C2Oc2cc(O)ccc12)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:50.56,c:12,16|
Show InChI InChI=1S/C40H42N6O7/c41-25-45-40(43-14-5-19-52-30-7-4-6-26(20-30)24-46-17-2-1-3-18-46)44-16-15-42-38(49)27-8-11-31(34(21-27)39(50)51)37-32-12-9-28(47)22-35(32)53-36-23-29(48)10-13-33(36)37/h4,6-13,20-23,32,37,48H,1-3,5,14-19,24H2,(H,42,49)(H,50,51)(H2,43,44,45)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

n/an/a 3.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of pig brain farnesyl transferase


Citation and Details
More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50404037
PNG
(CHEMBL5287302)
Show SMILES OC(=O)c1cc(ccc1C1C2C=CC(=O)C=C2Oc2cc(O)ccc12)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:50.56,c:12,16|
Show InChI InChI=1S/C40H42N6O7/c41-25-45-40(43-14-5-19-52-30-7-4-6-26(20-30)24-46-17-2-1-3-18-46)44-16-15-42-38(49)27-8-11-31(34(21-27)39(50)51)37-32-12-9-28(47)22-35(32)53-36-23-29(48)10-13-33(36)37/h4,6-13,20-23,32,37,48H,1-3,5,14-19,24H2,(H,42,49)(H,50,51)(H2,43,44,45)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

n/an/an/a>5.00E+4n/an/an/an/an/a


TBA

Assay Description
Inhibition of pig brain farnesyl transferase


Citation and Details
More data for this
Ligand-Target Pair