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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 1798   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202380
PNG
(US10081606, Compound I-12 | US9238629, I-12 | US97...)
Show SMILES COc1ccccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H17ClN4O3/c1-3-18(26)23-13-7-6-8-14(11-13)28-19-15(21)12-22-20(25-19)24-16-9-4-5-10-17(16)27-2/h3-12H,1H2,2H3,(H,23,26)(H,22,24,25)
GoogleScholar
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PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202379
PNG
(US10081606, Compound I-11 | US9238629, I-11 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H22F3N5O4/c1-5-18(32)28-13-7-6-8-14(11-13)29-21-15(23(24,25)26)12-27-22(31-21)30-16-9-10-17(33-2)20(35-4)19(16)34-3/h5-12H,1H2,2-4H3,(H,28,32)(H2,27,29,30,31)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202378
PNG
(US10081606, Compound I-10 | US9238629, I-10 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H21F3N4O5/c1-5-18(31)28-13-7-6-8-14(11-13)35-21-15(23(24,25)26)12-27-22(30-21)29-16-9-10-17(32-2)20(34-4)19(16)33-3/h5-12H,1H2,2-4H3,(H,28,31)(H,27,29,30)
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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202376
PNG
(US10081606, Compound I-8 | US9238629, I-8 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H21BrN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202373
PNG
(US10081606, Compound I-5 | US9238629, I-5 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H22BrN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202388
PNG
(US10081606, Compound I-20 | US9238629, I-20 | US97...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H20BrN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-17-9-8-15(29-2)11-18(17)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202384
PNG
(US10081606, Compound I-16 | US9238629, I-16 | US97...)
Show SMILES COc1cccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H20F3N5O3/c1-4-18(31)27-13-7-5-8-14(11-13)28-20-15(22(23,24)25)12-26-21(30-20)29-16-9-6-10-17(32-2)19(16)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202383
PNG
(US10081606, Compound I-15 | US9238629, I-15 | US97...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H19ClN4O4/c1-4-19(27)24-13-6-5-7-15(10-13)30-20-16(22)12-23-21(26-20)25-17-9-8-14(28-2)11-18(17)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM285865
PNG
(US10081606, Compound I-14 | US9765038, Compound I-...)
Show SMILES COc1cccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c1OC
Show InChI InChI=1S/C21H20BrN5O3/c1-4-18(28)24-13-7-5-8-14(11-13)25-20-15(22)12-23-21(27-20)26-16-9-6-10-17(29-2)19(16)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202389
PNG
(US10081606, Compound I-21 | US9238629, I-21 | US97...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H20ClN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-17-9-8-15(29-2)11-18(17)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202381
PNG
(US10081606, Compound I-13 | US9238629, I-13 | US97...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H19BrN4O4/c1-4-19(27)24-13-6-5-7-15(10-13)30-20-16(22)12-23-21(26-20)25-17-9-8-14(28-2)11-18(17)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202390
PNG
(US10081606, Compound I-22 | US9238629, I-22 | US97...)
Show SMILES COc1ccccc1Nc1ncc(Br)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H18BrN5O2/c1-3-18(27)23-13-7-6-8-14(11-13)24-19-15(21)12-22-20(26-19)25-16-9-4-5-10-17(16)28-2/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202377
PNG
(US10081606, Compound I-9 | US9238629, I-9 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202369
PNG
(US10081606, Compound I-1 | US9238629, I-1 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O2/c1-3-18(30)26-13-7-6-8-14(11-13)27-19-15(21(22,23)24)12-25-20(29-19)28-16-9-4-5-10-17(16)31-2/h3-12H,1H2,2H3,(H,26,30)(H2,25,27,28,29)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202375
PNG
(US10081606, Compound I-7 | US9238629, I-7 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H21ClN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202372
PNG
(US10081606, Compound I-4 | US9238629, I-4 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H22ClN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202386
PNG
(US10081606, Compound I-18 | US9238629, I-18 | US97...)
Show SMILES COc1ccccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H18ClN5O2/c1-3-18(27)23-13-7-6-8-14(11-13)24-19-15(21)12-22-20(26-19)25-16-9-4-5-10-17(16)28-2/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202379
PNG
(US10081606, Compound I-11 | US9238629, I-11 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H22F3N5O4/c1-5-18(32)28-13-7-6-8-14(11-13)29-21-15(23(24,25)26)12-27-22(31-21)30-16-9-10-17(33-2)20(35-4)19(16)34-3/h5-12H,1H2,2-4H3,(H,28,32)(H2,27,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202391
PNG
(US10081606, Compound I-23 | US9238629, I-23 | US97...)
Show SMILES COc1cccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H19F3N4O4/c1-4-18(30)27-13-7-5-8-14(11-13)33-20-15(22(23,24)25)12-26-21(29-20)28-16-9-6-10-17(31-2)19(16)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202374
PNG
(US10081606, Compound I-6 | US9238629, I-14 | US923...)
Show SMILES COc1cccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c1OC
Show InChI InChI=1S/C21H19BrN4O4/c1-4-18(27)24-13-7-5-8-14(11-13)30-20-15(22)12-23-21(26-20)25-16-9-6-10-17(28-2)19(16)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202375
PNG
(US10081606, Compound I-7 | US9238629, I-7 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H21ClN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202387
PNG
(US10081606, Compound I-19 | US9238629, I-19 | US97...)
Show SMILES COc1ccccc1Nc1ncc(F)c(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H17FN4O3/c1-3-18(26)23-13-7-6-8-14(11-13)28-19-15(21)12-22-20(25-19)24-16-9-4-5-10-17(16)27-2/h3-12H,1H2,2H3,(H,23,26)(H,22,24,25)
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n/an/a 20n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM285868
PNG
(US10081606, Compound I-17 | US9765038, Compound I-...)
Show SMILES COc1cccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c1OC
Show InChI InChI=1S/C21H19ClN4O4/c1-4-18(27)24-13-7-5-8-14(11-13)30-20-15(22)12-23-21(26-20)25-16-9-6-10-17(28-2)19(16)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
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n/an/a 55n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202372
PNG
(US10081606, Compound I-4 | US9238629, I-4 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H22ClN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)
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n/an/a 65n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202376
PNG
(US10081606, Compound I-8 | US9238629, I-8 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H21BrN4O5/c1-5-18(28)25-13-7-6-8-14(11-13)32-21-15(23)12-24-22(27-21)26-16-9-10-17(29-2)20(31-4)19(16)30-3/h5-12H,1H2,2-4H3,(H,25,28)(H,24,26,27)
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n/an/a 65n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202381
PNG
(US10081606, Compound I-13 | US9238629, I-13 | US97...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H19BrN4O4/c1-4-19(27)24-13-6-5-7-15(10-13)30-20-16(22)12-23-21(26-20)25-17-9-8-14(28-2)11-18(17)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
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n/an/a 65n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202388
PNG
(US10081606, Compound I-20 | US9238629, I-20 | US97...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H20BrN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-17-9-8-15(29-2)11-18(17)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
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n/an/a 65n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202373
PNG
(US10081606, Compound I-5 | US9238629, I-5 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H22BrN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)
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n/an/a 65n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202378
PNG
(US10081606, Compound I-10 | US9238629, I-10 | US97...)
Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1OC
Show InChI InChI=1S/C23H21F3N4O5/c1-5-18(31)28-13-7-6-8-14(11-13)35-21-15(23(24,25)26)12-27-22(30-21)29-16-9-10-17(32-2)20(34-4)19(16)33-3/h5-12H,1H2,2-4H3,(H,28,31)(H,27,29,30)
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n/an/a 65n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202387
PNG
(US10081606, Compound I-19 | US9238629, I-19 | US97...)
Show SMILES COc1ccccc1Nc1ncc(F)c(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H17FN4O3/c1-3-18(26)23-13-7-6-8-14(11-13)28-19-15(21)12-22-20(25-19)24-16-9-4-5-10-17(16)27-2/h3-12H,1H2,2H3,(H,23,26)(H,22,24,25)
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n/an/a 200n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202383
PNG
(US10081606, Compound I-15 | US9238629, I-15 | US97...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H19ClN4O4/c1-4-19(27)24-13-6-5-7-15(10-13)30-20-16(22)12-23-21(26-20)25-17-9-8-14(28-2)11-18(17)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
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n/an/a 200n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202377
PNG
(US10081606, Compound I-9 | US9238629, I-9 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H19F3N4O4/c1-4-19(30)27-13-6-5-7-15(10-13)33-20-16(22(23,24)25)12-26-21(29-20)28-17-9-8-14(31-2)11-18(17)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)
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n/an/a 200n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
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n/an/a 200n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202369
PNG
(US10081606, Compound I-1 | US9238629, I-1 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O2/c1-3-18(30)26-13-7-6-8-14(11-13)27-19-15(21(22,23)24)12-25-20(29-19)28-16-9-4-5-10-17(16)31-2/h3-12H,1H2,2H3,(H,26,30)(H2,25,27,28,29)
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n/an/a 200n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202384
PNG
(US10081606, Compound I-16 | US9238629, I-16 | US97...)
Show SMILES COc1cccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H20F3N5O3/c1-4-18(31)27-13-7-5-8-14(11-13)28-20-15(22(23,24)25)12-26-21(30-20)29-16-9-6-10-17(32-2)19(16)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
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n/an/a 200n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202390
PNG
(US10081606, Compound I-22 | US9238629, I-22 | US97...)
Show SMILES COc1ccccc1Nc1ncc(Br)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H18BrN5O2/c1-3-18(27)23-13-7-6-8-14(11-13)24-19-15(21)12-22-20(26-19)25-16-9-4-5-10-17(16)28-2/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)
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n/an/a 200n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202389
PNG
(US10081606, Compound I-21 | US9238629, I-21 | US97...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H20ClN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-17-9-8-15(29-2)11-18(17)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
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n/an/a 200n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM285865
PNG
(US10081606, Compound I-14 | US9765038, Compound I-...)
Show SMILES COc1cccc(Nc2ncc(Br)c(Nc3cccc(NC(=O)C=C)c3)n2)c1OC
Show InChI InChI=1S/C21H20BrN5O3/c1-4-18(28)24-13-7-5-8-14(11-13)25-20-15(22)12-23-21(27-20)26-16-9-6-10-17(29-2)19(16)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
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n/an/a 650n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM285868
PNG
(US10081606, Compound I-17 | US9765038, Compound I-...)
Show SMILES COc1cccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)c1OC
Show InChI InChI=1S/C21H19ClN4O4/c1-4-18(27)24-13-7-5-8-14(11-13)30-20-15(22)12-23-21(26-20)25-16-9-6-10-17(28-2)19(16)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
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n/an/a 650n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202374
PNG
(US10081606, Compound I-6 | US9238629, I-14 | US923...)
Show SMILES COc1cccc(Nc2ncc(Br)c(Oc3cccc(NC(=O)C=C)c3)n2)c1OC
Show InChI InChI=1S/C21H19BrN4O4/c1-4-18(27)24-13-7-5-8-14(11-13)30-20-15(22)12-23-21(26-20)25-16-9-6-10-17(28-2)19(16)29-3/h4-12H,1H2,2-3H3,(H,24,27)(H,23,25,26)
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n/an/a 650n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202380
PNG
(US10081606, Compound I-12 | US9238629, I-12 | US97...)
Show SMILES COc1ccccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H17ClN4O3/c1-3-18(26)23-13-7-6-8-14(11-13)28-19-15(21)12-22-20(25-19)24-16-9-4-5-10-17(16)27-2/h3-12H,1H2,2H3,(H,23,26)(H,22,24,25)
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n/an/a 650n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202386
PNG
(US10081606, Compound I-18 | US9238629, I-18 | US97...)
Show SMILES COc1ccccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H18ClN5O2/c1-3-18(27)23-13-7-6-8-14(11-13)24-19-15(21)12-22-20(26-19)25-16-9-4-5-10-17(16)28-2/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)
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n/an/a 650n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202391
PNG
(US10081606, Compound I-23 | US9238629, I-23 | US97...)
Show SMILES COc1cccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H19F3N4O4/c1-4-18(30)27-13-7-5-8-14(11-13)33-20-15(22(23,24)25)12-26-21(29-20)28-16-9-6-10-17(31-2)19(16)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202389
PNG
(US10081606, Compound I-21 | US9238629, I-21 | US97...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
Show InChI InChI=1S/C21H20ClN5O3/c1-4-19(28)24-13-6-5-7-14(10-13)25-20-16(22)12-23-21(27-20)26-17-9-8-15(29-2)11-18(17)30-3/h4-12H,1H2,2-3H3,(H,24,28)(H2,23,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

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


(Homo sapiens (Human))
BDBM202372
PNG
(US10081606, Compound I-4 | US9238629, I-4 | US9765...)
Show SMILES COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1OC
Show InChI InChI=1S/C22H22ClN5O4/c1-5-18(29)25-13-7-6-8-14(11-13)26-21-15(23)12-24-22(28-21)27-16-9-10-17(30-2)20(32-4)19(16)31-3/h5-12H,1H2,2-4H3,(H,25,29)(H2,24,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
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