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BDBM50265376 CHEMBL496739::N-(4-(4-(m-Tolyl)piperazin-1-yl)butyl)benzo[b]furan-2-carboxamide::N-(4-(4-m-tolylpiperazin-1-yl)butyl)benzofuran-2-carboxamide

SMILES: Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1

InChI Key: InChIKey=DIJKUIXRAWOVGJ-UHFFFAOYSA-N

Data: 17 KI  4 IC50

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 = 50265376   
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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4.5n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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4.5n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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4.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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11.9n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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11.9n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat CRL:CD(SD)BR-COBS hippocampus by scintillation spectrometry


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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15n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from histamine H1 receptor in guinea pig cerebellum


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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15.3n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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15.3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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206n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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263n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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263n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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263n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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930n/an/an/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells


J Med Chem 53: 4803-7 (2010)


Article DOI: 10.1021/jm100294b
BindingDB Entry DOI: 10.7270/Q28P60QP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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930n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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3.29E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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n/an/a 143n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2S receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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n/an/a 584n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2L receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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n/an/a 230n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Intrinsic activity at 5HT2A receptor in Wistar rat aorta


J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair