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BDBM50382582 CHEMBL2022999

SMILES: Cc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=SNWPAIZRMSCBKP-UHFFFAOYSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50382582   
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50382582
PNG
(CHEMBL2022999)
Show SMILES Cc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-12-14-21(15-13-18)24(17-16-22(25)23(26)27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17,25H2,1H3,(H,26,27)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.5n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50382582
PNG
(CHEMBL2022999)
Show SMILES Cc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-12-14-21(15-13-18)24(17-16-22(25)23(26)27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17,25H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.80n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50382582
PNG
(CHEMBL2022999)
Show SMILES Cc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-12-14-21(15-13-18)24(17-16-22(25)23(26)27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17,25H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 95n/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
More data for this
Ligand-Target Pair