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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM397143'   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397143
PNG
(US10596172, Compound I-8 | US10828300, Compound I-...)
Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1
Show InChI InChI=1S/C21H21N5O/c1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16/h4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26)
PDB
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UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)


BindingDB Entry DOI: 10.7270/Q2VM4G9X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397143
PNG
(US10596172, Compound I-8 | US10828300, Compound I-...)
Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1
Show InChI InChI=1S/C21H21N5O/c1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16/h4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10596172 (2020)


BindingDB Entry DOI: 10.7270/Q2VM4G9X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397143
PNG
(US10596172, Compound I-8 | US10828300, Compound I-...)
Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1
Show InChI InChI=1S/C21H21N5O/c1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16/h4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10828300 (2020)


BindingDB Entry DOI: 10.7270/Q2JS9THK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397143
PNG
(US10596172, Compound I-8 | US10828300, Compound I-...)
Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1
Show InChI InChI=1S/C21H21N5O/c1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16/h4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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PC sid
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X92FHZ
More data for this
Ligand-Target Pair