new BindingDB logo
myBDB logout

BDBM50010389 CHEMBL3263965

SMILES: COc1cc2c(Oc3ccc(NS(=O)(=O)c4cc(ccc4F)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=JGBFZYXPJYFPPR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50010389   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50010389
PNG
(CHEMBL3263965)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cc(ccc4F)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H34F2N4O5S2/c1-39-12-14-40(15-13-39)11-3-16-44-33-21-29-26(20-32(33)43-2)30(8-10-37-29)45-31-7-5-25(19-28(31)36)38-47(41,42)34-18-23(4-6-27(34)35)24-9-17-46-22-24/h4-10,17-22,38H,3,11-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 572n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50010389
PNG
(CHEMBL3263965)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cc(ccc4F)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H34F2N4O5S2/c1-39-12-14-40(15-13-39)11-3-16-44-33-21-29-26(20-32(33)43-2)30(8-10-37-29)45-31-7-5-25(19-28(31)36)38-47(41,42)34-18-23(4-6-27(34)35)24-9-17-46-22-24/h4-10,17-22,38H,3,11-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant INSR (unknown origin) using fluorescent dye-labelled KKSRGDYMTMQIG peptide peptide as substrate after 1 hr by IMAP assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50010389
PNG
(CHEMBL3263965)
Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cc(ccc4F)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H34F2N4O5S2/c1-39-12-14-40(15-13-39)11-3-16-44-33-21-29-26(20-32(33)43-2)30(8-10-37-29)45-31-7-5-25(19-28(31)36)38-47(41,42)34-18-23(4-6-27(34)35)24-9-17-46-22-24/h4-10,17-22,38H,3,11-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



Vichem Chemie Research Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay


ACS Med Chem Lett 5: 298-303 (2014)


Article DOI: 10.1021/ml4003309
BindingDB Entry DOI: 10.7270/Q2HD7X6X
More data for this
Ligand-Target Pair