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BDBM23820 (2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]sulfanyl}propanoic acid::S-Trityl-L-Cysteine (STLC) Analogue, 49

SMILES: N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O

InChI Key: InChIKey=BSTXYLCINUXYQF-FQEVSTJZSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 23820   
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 Spindle Protein Eg5


(Homo sapiens)
BDBM23820
PNG
((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
200n/an/an/an/an/an/an/an/a



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM23820
PNG
((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 53.3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)