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BDBM50036001 4-{2-[3-(4-carboxybenzylcarbamoyl)-1-methyl-1H-2-indolyldisulfanyl]-1-methyl-1H-3-indolylcarboxamidomethyl}benzoic acid1.5 H2O::CHEMBL158805

SMILES: Cn1c(SSc2c(C(=O)NCc3ccc(cc3)C(O)=O)c3ccccc3n2C)c(C(=O)NCc2ccc(cc2)C(O)=O)c2ccccc12

InChI Key: InChIKey=DNHRXRSIPPWDII-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50036001   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50036001
PNG
(4-{2-[3-(4-carboxybenzylcarbamoyl)-1-methyl-1H-2-i...)
Show SMILES Cn1c(SSc2c(C(=O)NCc3ccc(cc3)C(O)=O)c3ccccc3n2C)c(C(=O)NCc2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C36H30N4O6S2/c1-39-27-9-5-3-7-25(27)29(31(41)37-19-21-11-15-23(16-12-21)35(43)44)33(39)47-48-34-30(26-8-4-6-10-28(26)40(34)2)32(42)38-20-22-13-17-24(18-14-22)36(45)46/h3-18H,19-20H2,1-2H3,(H,37,41)(H,38,42)(H,43,44)(H,45,46)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory concentration of the against pp60v-src tyrosine kinase obtained from v-src baculovirus-infected insect cells


J Med Chem 38: 58-67 (1995)


Article DOI: 10.1021/jm00001a011
BindingDB Entry DOI: 10.7270/Q26Q1W8F
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50036001
PNG
(4-{2-[3-(4-carboxybenzylcarbamoyl)-1-methyl-1H-2-i...)
Show SMILES Cn1c(SSc2c(C(=O)NCc3ccc(cc3)C(O)=O)c3ccccc3n2C)c(C(=O)NCc2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C36H30N4O6S2/c1-39-27-9-5-3-7-25(27)29(31(41)37-19-21-11-15-23(16-12-21)35(43)44)33(39)47-48-34-30(26-8-4-6-10-28(26)40(34)2)32(42)38-20-22-13-17-24(18-14-22)36(45)46/h3-18H,19-20H2,1-2H3,(H,37,41)(H,38,42)(H,43,44)(H,45,46)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibitory concentration compound against EFGR tyrosine kinase obtained from plasma membrane vesicles from cultured A431 cells


J Med Chem 38: 58-67 (1995)


Article DOI: 10.1021/jm00001a011
BindingDB Entry DOI: 10.7270/Q26Q1W8F
More data for this
Ligand-Target Pair