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BDBM50089960 5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1H-benzoimidazole-2-carboxylic acid (5-{5-[5-(2-carbamimidoyl-ethylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl]-1-methyl-1H-pyrrol-3-ylcarbamoyl}-1-methyl-1H-pyrrol-3-yl)-amide; hydrochloride::CHEMBL552690

SMILES: Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc5ccc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)cc5[nH]4)cn3C)cn2C)cc1C(=O)NCCC(N)=N

InChI Key: InChIKey=VTUJRELIRZNVDP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089960   
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
GTPase HRas


(Homo sapiens (Human))
BDBM50089960
PNG
(5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1H...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc5ccc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)cc5[nH]4)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C40H43Cl2N13O5/c1-52-20-25(17-31(52)37(57)45-13-10-34(43)44)47-38(58)32-18-26(21-53(32)2)48-39(59)33-19-27(22-54(33)3)49-40(60)35-50-29-9-6-24(16-30(29)51-35)46-36(56)23-4-7-28(8-5-23)55(14-11-41)15-12-42/h4-9,16-22H,10-15H2,1-3H3,(H3,43,44)(H,45,57)(H,46,56)(H,47,58)(H,48,59)(H,49,60)(H,50,51)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products


J Med Chem 43: 2675-84 (2000)


BindingDB Entry DOI: 10.7270/Q2959J79
More data for this
Ligand-Target Pair