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BDBM50350464 AMOXICILLINE::Amoxi-Inject::Amoxi-Tabs::Amoxicillin

SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O

InChI Key: InChIKey=LSQZJLSUYDQPKJ-NJBDSQKTSA-N

Data: 5 KI  34 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 39 hits for monomerid = 50350464   
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
Oligopeptide transporter, kidney isoform


(Rattus norvegicus)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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 1.79E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells

Am J Physiol 273: 706-11 (1997)


Article DOI: 10.1152/ajprenal.1997.273.5.f706
BindingDB Entry DOI: 10.7270/Q2N87DND
More data for this
Ligand-Target Pair
Oligopeptide transporter, kidney isoform


(Rattus norvegicus)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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 4.30E+5n/an/an/an/an/an/an/an/a



Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cells

Eur J Pharm Biopharm 59: 17-24 (2004)


Article DOI: 10.1016/j.ejpb.2004.07.008
BindingDB Entry DOI: 10.7270/Q2TT4S7H
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens (Human))		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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 4.30E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells

Bioorg Med Chem 19: 4544-51 (2011)


Article DOI: 10.1016/j.bmc.2011.06.027
BindingDB Entry DOI: 10.7270/Q2MP549P
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cells

Eur J Pharm Biopharm 59: 17-24 (2004)


Article DOI: 10.1016/j.ejpb.2004.07.008
BindingDB Entry DOI: 10.7270/Q2TT4S7H
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Rattus norvegicus)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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 1.30E+7n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cells

Am J Physiol 273: 706-11 (1997)


Article DOI: 10.1152/ajprenal.1997.273.5.f706
BindingDB Entry DOI: 10.7270/Q2N87DND
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...

Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...

Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 481n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP2B

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 451n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2B

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 394n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2B

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 602n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2B

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 136n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2B

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2B

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 82.1n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2B

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 117n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2X

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 49.3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2X

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 60.2n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2X

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 246n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 10.9n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 339n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP1A

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 161n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 46.5n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 169n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2X

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 257n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2X

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 101n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2X

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 183n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP1A

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 134n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 79.4n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2B

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 10.9n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2X

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 21.9n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2X

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2B


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 90.3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2B

Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/aac.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...

Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...

Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...

Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method

Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake

Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)		BDBM50350464
PNG
(AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...

Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair