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Compile Data Set for Download or QSAR

Found 284 hits Enz. Inhib. hit(s) with all data for entry = 11803   
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 [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649356
PNG
(US20240034743, Compound 48)
Show SMILES COc1cc2N(C)CCn3nncc3-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649357
PNG
(US20240034743, Compound 49)
Show SMILES COc1cc2CNCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649358
PNG
(US20240034743, Compound 50)
Show SMILES COc1cc2C(N)CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1
PDB
MMDB

KEGG

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649358
PNG
(US20240034743, Compound 50)
Show SMILES COc1cc2C(N)CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649359
PNG
(US20240034743, Compound 51)
Show SMILES COc1nc2NCCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649360
PNG
(US20240034743, Compound 52)
Show SMILES COc1nc2NCCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649361
PNG
(US20240034743, Compound 53 | US20240034743, Compou...)
Show SMILES COc1nc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2NS(C)(=O)=O)n1)C(C)C
PDB
MMDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649361
PNG
(US20240034743, Compound 53 | US20240034743, Compou...)
Show SMILES COc1nc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2NS(C)(=O)=O)n1)C(C)C
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649362
PNG
(US20240034743, Compound 54)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2NS(C)(=O)=O)n1)C(C)C
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649363
PNG
(US20240034743, Compound 55)
Show SMILES COc1cc2N(C)CCn3c(C)ncc3-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649364
PNG
(US20240034743, Compound 56)
Show SMILES COc1cc2N(CCc3nn(CCN(C)C)cc3-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C(C)C
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649366
PNG
(US20240034743, Compound 58)
Show SMILES COc1cc2N(C)CCc3c(cnn3C)-c2cc1Nc1nc(Nc2ccccc2P(C)(C)=O)c2sccc2n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649367
PNG
(US20240034743, Compound 59)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C1CN(C)C1
PDB
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649367
PNG
(US20240034743, Compound 59)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C1CN(C)C1
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649368
PNG
(US20240034743, Compound 60)
Show SMILES COc1cc2N(C)CCc3c(cnn3C)-c2cc1Nc1nc(Nc2ccc3nccnc3c2P(C)(C)=O)c2cc[nH]c2n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649369
PNG
(US20240034743, Compound 61)
Show SMILES COc1cc2N(C)CCc3c(cnn3C)-c2cc1Nc1nc(Nc2ccc3nccnc3c2P(C)(C)=O)c2sccc2n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649370
PNG
(US20240034743, Compound 62)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CCN(C)CC1
PDB
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649370
PNG
(US20240034743, Compound 62)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CCN(C)CC1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649371
PNG
(US20240034743, Compound 63)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CN(C1)C(C)C
PDB
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649371
PNG
(US20240034743, Compound 63)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CN(C1)C(C)C
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649372
PNG
(US20240034743, Compound 64)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C1COC1
PDB
MMDB

KEGG

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649372
PNG
(US20240034743, Compound 64)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C1COC1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649373
PNG
(US20240034743, Compound 65)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C1CCN(C)CC1F
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649374
PNG
(US20240034743, Compound 66A)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)[C@@H]1CCN(C)C[C@H]1F |r|
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649375
PNG
(US20240034743, Compound 66B)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)[C@H]1CCN(C)C[C@@H]1F |r|
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649376
PNG
(US20240034743, Compound 67)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CCN(C)CC1F
PDB
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649376
PNG
(US20240034743, Compound 67)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CCN(C)CC1F
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649377
PNG
(US20240034743, Compound 68)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CCN(C)C[C@@H]1F |r|
PDB
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649377
PNG
(US20240034743, Compound 68)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CCN(C)C[C@@H]1F |r|
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649378
PNG
(US20240034743, Compound 69)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C1CN(CCF)C1
PDB
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649378
PNG
(US20240034743, Compound 69)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C1CN(CCF)C1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649379
PNG
(US20240034743, Compound 70)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CN(CC2CC2)C1
PDB
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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649379
PNG
(US20240034743, Compound 70)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CN(CC2CC2)C1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649380
PNG
(US20240034743, Compound 71)
Show SMILES COc1cc2CNCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649381
PNG
(US20240034743, Compound 72)
Show SMILES COc1cc2CN(Cc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C(C)C
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649382
PNG
(US20240034743, Compound 73)
Show SMILES COc1cc2N(CC(F)(F)F)CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649383
PNG
(US20240034743, Compound 74)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CC1
PDB
MMDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649383
PNG
(US20240034743, Compound 74)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CC1
PDB

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Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM649384
PNG
(US20240034743, Compound 75)
Show SMILES COc1cc2N(CCc3c(cnn3C3CCN(C)CC3)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C(C)C
PDB

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Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM649385
PNG
(US20240034743, Compound 76)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=S)n1)C1CCN(C)CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649385
PNG
(US20240034743, Compound 76)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=S)n1)C1CCN(C)CC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649386
PNG
(US20240034743, Compound 77A)
Show SMILES COc1cc2N(CCc3c(cnn3C3COC3)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C(C)C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649335
PNG
(US20240034743, Compound 27 | US20240034743, Compou...)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1)C(C)C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649389
PNG
(US20240034743, Compound 79)
Show SMILES COc1nc2N(C)CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccccc2P(C)(C)=O)n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649390
PNG
(US20240034743, Compound 80)
Show SMILES COc1nc2N(C)CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2NP(C)(C)=O)n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649391
PNG
(US20240034743, Compound 81)
Show SMILES COc1nc2NCCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2NS(C)(=O)=O)n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649393
PNG
(US20240034743, Compound 83)
Show SMILES COc1nc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2cccnc2NP(C)(C)=O)n1)C(C)C
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649394
PNG
(US20240034743, Compound 84)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CCCN(C)C1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649394
PNG
(US20240034743, Compound 84)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C1CCCN(C)C1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM649395
PNG
(US20240034743, Compound 85)
Show SMILES COc1cc2N(CCc3c(cnn3C)-c2cc1Nc1ncc(C)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1)C(C)C
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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