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BDBM50089969 5-[Bis-(2-chloro-ethyl)-amino]-benzofuran-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::CHEMBL540313

SMILES: Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5o4)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N

InChI Key: InChIKey=ZTNNTIMDSDUVON-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089969   
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))
BDBM50089969
PNG
(5-[Bis-(2-chloro-ethyl)-amino]-benzofuran-2-carbox...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5o4)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C34H38Cl2N10O5/c1-43-17-21(14-25(43)31(47)39-9-6-30(37)38)40-32(48)26-15-22(18-44(26)2)41-33(49)27-16-23(19-45(27)3)42-34(50)29-13-20-12-24(4-5-28(20)51-29)46(10-7-35)11-8-36/h4-5,12-19H,6-11H2,1-3H3,(H3,37,38)(H,39,47)(H,40,48)(H,41,49)(H,42,50)
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