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SMILES: Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1

InChI Key:

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 8 hits for monomerid = 494875   
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))
BDBM494875
PNG
(US10994015, Example 9)
Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...


US Patent US10994015 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210]


(Homo sapiens (Human))
BDBM494875
PNG
(US10994015, Example 9)
Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...


US Patent US10994015 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210,T790M]


(Homo sapiens (Human))
BDBM494875
PNG
(US10994015, Example 9)
Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90E+3n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...


US Patent US10994015 (2021)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM494875
PNG
(US10994015, Example 9)
Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 590n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...


US Patent US10994015 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R]


(Homo sapiens (Human))
BDBM494875
PNG
(US10994015, Example 9)
Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.90n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...


US Patent US10994015 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM494875
PNG
(US10994015, Example 9)
Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.80E+3n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...


US Patent US10994015 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM494875
PNG
(US10994015, Example 9)
Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+3n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...


US Patent US10994015 (2021)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM494875
PNG
(US10994015, Example 9)
Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 260n/an/an/an/an/an/a



ARVINAS OPERATIONS, INC.; YALE UNIVERSITY

US Patent


Assay Description
All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...


US Patent US10994015 (2021)

More data for this
Ligand-Target Pair