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SMILES: CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C

InChI Key: InChIKey=RLGQIPCFRYRCDL-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 279115   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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n/an/a 3.90n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)


BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26977HV
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)


BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10512632 (2019)


BindingDB Entry DOI: 10.7270/Q25T3NVN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10512632 (2019)


BindingDB Entry DOI: 10.7270/Q25T3NVN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10512632 (2019)


BindingDB Entry DOI: 10.7270/Q25T3NVN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 μL samples containing a fixed amount of the PDE1 enzyme...


US Patent US10766893 (2020)


BindingDB Entry DOI: 10.7270/Q2ZP495P
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 μL samples containing a fixed amount of the PDE1 enzyme...


US Patent US10766893 (2020)


BindingDB Entry DOI: 10.7270/Q2ZP495P
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 μL samples containing a fixed amount of the PDE1 enzyme...


US Patent US10766893 (2020)


BindingDB Entry DOI: 10.7270/Q2ZP495P
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10806718 (2020)


BindingDB Entry DOI: 10.7270/Q27P92FR
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10806718 (2020)


BindingDB Entry DOI: 10.7270/Q27P92FR
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10806718 (2020)


BindingDB Entry DOI: 10.7270/Q27P92FR
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 uL samples containing a fixed amount of the PDE1 enzyme (suff...


US Patent US11026923 (2021)


BindingDB Entry DOI: 10.7270/Q20R9SJ9
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 uL samples containing a fixed amount of the PDE1 enzyme (suff...


US Patent US11026923 (2021)


BindingDB Entry DOI: 10.7270/Q20R9SJ9
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 uL samples containing a fixed amount of the PDE1 enzyme (suff...


US Patent US11026923 (2021)


BindingDB Entry DOI: 10.7270/Q20R9SJ9
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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TBA

Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78K2T
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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TBA

Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78K2T
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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TBA

Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78K2T
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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PC sid
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n/an/a 3.90n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26977HV
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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n/an/a 0.510n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26977HV
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279115
PNG
(1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...)
Show SMILES CCCOc1ncccc1-c1cc(NCc2nc[nH]n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-5-9-30-21-15(7-6-8-22-21)16-10-17(23-11-18-24-12-25-27-18)20-19(26-16)14(4)28-29(20)13(2)3/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,26)(H,24,25,27)
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US Patent
n/an/a 0.510n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)


BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair