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Patent code US9173879

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM159345
PNG
(US9034899, 36 | US9173879, 1 (-) - enantiomer | US...)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9173879 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G75
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM159345
PNG
(US9034899, 36 | US9173879, 1 (-) - enantiomer | US...)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.20n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9173879 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G75
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM159345
PNG
(US9034899, 36 | US9173879, 1 (-) - enantiomer | US...)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2
Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.80n/an/an/an/a7.54



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9173879 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G75
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM159345
PNG
(US9034899, 36 | US9173879, 1 (-) - enantiomer | US...)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26n/an/an/an/a7.54



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9173879 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G75
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM159345
PNG
(US9034899, 36 | US9173879, 1 (-) - enantiomer | US...)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

Similars

US Patent
n/an/a 30.8n/an/an/an/a7.54



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9173879 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G75
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM159345
PNG
(US9034899, 36 | US9173879, 1 (-) - enantiomer | US...)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 105n/an/an/an/a7.54



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9173879 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G75
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%