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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 245.2
BDBM281555
Wt: 251.2
BDBM281556
Wt: 260.2
BDBM281559
Wt: 234.2
BDBM281557
Wt: 260.2
BDBM281560
Wt: 248.2
BDBM281568
Wt: 251.2
BDBM281572
Wt: 249.2
BDBM281573
Wt: 246.2
BDBM281578
Wt: 256.2
BDBM281589
Wt: 250.2
BDBM281592
Wt: 233.2
BDBM281600
Wt: 233.2
BDBM281602
Wt: 260.2
BDBM281609
Wt: 261.2
BDBM281623
Displayed 1 to 15 (of 108 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281560
PNG
(US10022461, Compound 12)
Show SMILES Nc1ccc2cc(ncc2c1)-n1ccc2ccncc12
Show InChI InChI=1S/C16H12N4/c17-14-2-1-12-8-16(19-9-13(12)7-14)20-6-4-11-3-5-18-10-15(11)20/h1-10H,17H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.290 -54.4n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281609
PNG
(US10022461, Compound 59)
Show SMILES Nc1cccc2cc(ncc12)-n1ccc2ccncc12
Show InChI InChI=1S/C16H12N4/c17-14-3-1-2-12-8-16(19-9-13(12)14)20-7-5-11-4-6-18-10-15(11)20/h1-10H,17H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.330 -54.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281559
PNG
(US10022461, Compound 11-5)
Show SMILES Nc1cccc2cnc(cc12)-n1ccc2ccncc12
Show InChI InChI=1S/C16H12N4/c17-14-3-1-2-12-9-19-16(8-13(12)14)20-7-5-11-4-6-18-10-15(11)20/h1-10H,17H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.400 -53.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281623
PNG
(US10022461, Compound 75)
Show SMILES Oc1ccc2cnc(cc2c1)-n1ccc2ccncc12
Show InChI InChI=1S/C16H11N3O/c20-14-2-1-12-9-18-16(8-13(12)7-14)19-6-4-11-3-5-17-10-15(11)19/h1-10,20H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.480 -53.2n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281557
PNG
(US10022461, Compound 8)
Show SMILES c1cc2cc(ncc2[nH]1)-n1ccc2ccncc12
Show InChI InChI=1S/C14H10N4/c1-4-15-9-13-10(1)3-6-18(13)14-7-11-2-5-16-12(11)8-17-14/h1-9,16H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.480 -53.2n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281555
PNG
(US10022461, Compound 6)
Show SMILES c1cc2ccncc2n1-c1cc2ccccc2cn1
Show InChI InChI=1S/C16H11N3/c1-2-4-14-10-18-16(9-13(14)3-1)19-8-6-12-5-7-17-11-15(12)19/h1-11H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.540 -52.9n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281568
PNG
(US10022461, Compound 19)
Show SMILES Cn1ccc2cc(ncc12)-n1ccc2ccncc12
Show InChI InChI=1S/C15H12N4/c1-18-6-3-12-8-15(17-10-13(12)18)19-7-4-11-2-5-16-9-14(11)19/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.620 -52.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281600
PNG
(US10022461, Compound 50)
Show SMILES Cc1cc(ncc1C#C)-n1ccc2ccncc12
Show InChI InChI=1S/C15H11N3/c1-3-12-9-17-15(8-11(12)2)18-7-5-13-4-6-16-10-14(13)18/h1,4-10H,2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.75 -52.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281602
PNG
(US10022461, Compound 52)
Show SMILES CC#Cc1ccc(nc1)-n1ccc2ccncc12
Show InChI InChI=1S/C15H11N3/c1-2-3-12-4-5-15(17-10-12)18-9-7-13-6-8-16-11-14(13)18/h4-11H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.980 -51.4n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281572
PNG
(US10022461, Compound 22)
Show SMILES CC#Cc1cnc(cc1F)-n1ccc2ccncc12
Show InChI InChI=1S/C15H10FN3/c1-2-3-12-9-18-15(8-13(12)16)19-7-5-11-4-6-17-10-14(11)19/h4-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.43 -50.5n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281556
PNG
(US10022461, Compound 7)
Show SMILES FCC#Cc1ccc(nc1)-n1ccc2ccncc12
Show InChI InChI=1S/C15H10FN3/c16-7-1-2-12-3-4-15(18-10-12)19-9-6-13-5-8-17-11-14(13)19/h3-6,8-11H,7H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.65 -50.1n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281573
PNG
(US10022461, Compound 23)
Show SMILES Cc1cc2cnc(cc2o1)-n1ccc2ccncc12
Show InChI InChI=1S/C15H11N3O/c1-10-6-12-8-17-15(7-14(12)19-10)18-5-3-11-2-4-16-9-13(11)18/h2-9H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.10 -49.5n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281578
PNG
(US10022461, Compound 26)
Show SMILES c1cc2ccncc2n1-c1cc2cnccc2cn1
Show InChI InChI=1S/C15H10N4/c1-4-17-10-14-11(1)3-6-19(14)15-7-13-8-16-5-2-12(13)9-18-15/h1-10H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.27 -49.3n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281589
PNG
(US10022461, Compound 36)
Show SMILES FCCNc1ccc(nc1)-n1ccc2ccncc12
Show InChI InChI=1S/C14H13FN4/c15-5-7-17-12-1-2-14(18-9-12)19-8-4-11-3-6-16-10-13(11)19/h1-4,6,8-10,17H,5,7H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.96 -47.4n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM281592
PNG
(US10022461, Compound 39)
Show SMILES C1CNc2cc(ncc2C1)-n1ccc2ccncc12
Show InChI InChI=1S/C15H14N4/c1-2-12-9-18-15(8-13(12)17-5-1)19-7-4-11-3-6-16-10-14(11)19/h3-4,6-10,17H,1-2,5H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
10.8 -45.5n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...


US Patent US10022461 (2018)

More data for this
Ligand-Target Pair