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BDBM50089967 5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-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::CHEMBL554353

SMILES: Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5[nH]4)cn3C)cn2C)cc1C(=O)NCCC(N)=N

InChI Key: InChIKey=RLHGRWTYHJYFHW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50089967   
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))
BDBM50089967
PNG
(5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1H...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5[nH]4)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C41H44Cl2N12O5/c1-52-22-28(18-33(52)39(58)46-13-10-36(44)45)49-41(60)35-20-29(23-54(35)3)50-40(59)34-19-27(21-53(34)2)48-38(57)32-17-25-16-26(6-9-31(25)51-32)47-37(56)24-4-7-30(8-5-24)55(14-11-42)15-12-43/h4-9,16-23,51H,10-15H2,1-3H3,(H3,44,45)(H,46,58)(H,47,56)(H,48,57)(H,49,60)(H,50,59)
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