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BDBM50036016 4-{2-[3-(4-carboxyphenylcarbamoyl)-1-methyl-1H-2-indolyldisulfanyl]-1-methyl-1H-3-indolylcarboxamido}benzoic acid H2O::CHEMBL347161

SMILES: Cn1c(SSc2c(C(=O)Nc3ccc(cc3)C(O)=O)c3ccccc3n2C)c(C(=O)Nc2ccc(cc2)C(O)=O)c2ccccc12

InChI Key: InChIKey=MYCLDFWRYQGXQK-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50036016   
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))
BDBM50036016
PNG
(4-{2-[3-(4-carboxyphenylcarbamoyl)-1-methyl-1H-2-i...)
Show SMILES Cn1c(SSc2c(C(=O)Nc3ccc(cc3)C(O)=O)c3ccccc3n2C)c(C(=O)Nc2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C34H26N4O6S2/c1-37-25-9-5-3-7-23(25)27(29(39)35-21-15-11-19(12-16-21)33(41)42)31(37)45-46-32-28(24-8-4-6-10-26(24)38(32)2)30(40)36-22-17-13-20(14-18-22)34(43)44/h3-18H,1-2H3,(H,35,39)(H,36,40)(H,41,42)(H,43,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.30E+3n/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))
BDBM50036016
PNG
(4-{2-[3-(4-carboxyphenylcarbamoyl)-1-methyl-1H-2-i...)
Show SMILES Cn1c(SSc2c(C(=O)Nc3ccc(cc3)C(O)=O)c3ccccc3n2C)c(C(=O)Nc2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C34H26N4O6S2/c1-37-25-9-5-3-7-23(25)27(29(39)35-21-15-11-19(12-16-21)33(41)42)31(37)45-46-32-28(24-8-4-6-10-26(24)38(32)2)30(40)36-22-17-13-20(14-18-22)34(43)44/h3-18H,1-2H3,(H,35,39)(H,36,40)(H,41,42)(H,43,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.69E+4n/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