BDBM50350468 CEFAMANDOLE

SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O

InChI Key InChIKey=OLVCFLKTBJRLHI-AXAPSJFSSA-N

Data  7 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

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 11 hits for monomerid = 50350468   

TargetSolute carrier family 22 member 6(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataKi:  30nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 8(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataKi:  46nMAssay Description:TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 11(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataKi:  1.14E+3nMAssay Description:TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 15 member 2(Rattus norvegicus)
Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataKi:  2.80E+6nMAssay 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
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataKi:  2.80E+6nMAssay 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
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataKi:  8.10E+6nMAssay 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(Homo sapiens (Human))
Biozentrum of the Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataKi:  8.10E+6nMAssay Description:Binding affinity against membrane transport protein PEPT1 in human Caco-2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 6(Rattus norvegicus)
Kyorin University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataIC50: 4.50E+5nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 8(Rattus norvegicus)
Kyorin University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataIC50: 9.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 7(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataIC50: 1.57E+6nMAssay Description:TP_TRANSPORTER: inhibition of PGF2alpha in OAT2-S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 7(Rattus norvegicus)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50350468(CEFAMANDOLE)
Show SMILES Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
Show InChI InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1
Affinity DataIC50: 3.18E+6nMAssay Description:TP_TRANSPORTER: inhibition of PGF2alpha in OAT2-S2 cellsMore data for this Ligand-Target Pair