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BDBM50089971 5-[Bis-(2-chloro-ethyl)-amino]-1-methyl-1H-indole-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::CHEMBL552863

SMILES: Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5n4C)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N

InChI Key: InChIKey=HTKQZECDKPTYRG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089971   
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))
BDBM50089971
PNG
(5-[Bis-(2-chloro-ethyl)-amino]-1-methyl-1H-indole-...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5n4C)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C35H41Cl2N11O4/c1-44-18-22(15-27(44)32(49)40-10-7-31(38)39)41-33(50)28-16-23(19-45(28)2)42-34(51)29-17-24(20-46(29)3)43-35(52)30-14-21-13-25(5-6-26(21)47(30)4)48(11-8-36)12-9-37/h5-6,13-20H,7-12H2,1-4H3,(H3,38,39)(H,40,49)(H,41,50)(H,42,51)(H,43,52)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/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