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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50350464   

TargetSolute carrier family 15 member 2(Rattus norvegicus)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataKi:  1.79E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 15 member 2(Rattus norvegicus)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataKi:  4.30E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 15 member 2(Homo sapiens (Human))
Universit£ degli Studi di Milano

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataKi:  4.30E+5nMAssay Description:Binding affinity to human PepT2 in SKTP cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 15 member 1(Homo sapiens (Human))
Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataKi: >1.00E+7nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 15 member 1(Rattus norvegicus)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataKi:  1.30E+7nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 1.33E+5nMAssay 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...More data for this Ligand-Target Pair
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 481nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP2BMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 451nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2BMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 394nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2BMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 602nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2BMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 136nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2BMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 150nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2BMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 82.1nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2BMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2x(Streptococcus pneumoniae)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 117nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2XMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2x(Streptococcus pneumoniae)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 49.3nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2XMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2x(Streptococcus pneumoniae)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 60.2nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2XMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 1A(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 246nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1AMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 1A(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 120nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1AMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 1A(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 10.9nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1AMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 1A(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 339nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1AMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 1A(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 1.15E+3nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP1AMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 1A(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 161nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1AMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 1A(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 46.5nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1AMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2x(Streptococcus pneumoniae)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 169nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2XMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2x(Streptococcus pneumoniae)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 257nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2XMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2x(Streptococcus pneumoniae)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 101nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2XMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 1A(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 183nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP1AMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 1A(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 134nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1AMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 79.4nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2BMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2x(Streptococcus pneumoniae)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 10.9nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2XMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2x(Streptococcus pneumoniae)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 21.9nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2XMore data for this Ligand-Target Pair
TargetPenicillin-binding protein 2B(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
Hershey Medical Center

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 90.3nMAssay Description:Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2BMore data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 1.33E+5nMAssay 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...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 1.33E+5nMAssay 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 ...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
TargetBile salt export pump(Rattus norvegicus)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50350464(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
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
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair