new BindingDB logo
myBDB logout

BDBM50089961 5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-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::CHEMBL554189

SMILES: Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5n4C)cn3C)cn2C)cc1C(=O)NCCC(N)=N

InChI Key: InChIKey=SWYZYRFTUDNTMP-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50089961   
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
Ha-Ras-CVLS


(Homo sapiens (human))
BDBM50089961
PNG
(5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5n4C)cn3C)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C42H46Cl2N12O5/c1-52-22-28(19-33(52)39(58)47-14-11-37(45)46)49-40(59)34-20-29(23-53(34)2)50-41(60)35-21-30(24-54(35)3)51-42(61)36-18-26-17-27(7-10-32(26)55(36)4)48-38(57)25-5-8-31(9-6-25)56(15-12-43)16-13-44/h5-10,17-24H,11-16H2,1-4H3,(H3,45,46)(H,47,58)(H,48,57)(H,49,59)(H,50,60)(H,51,61)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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


Citation and Details
More data for this
Ligand-Target Pair