BDBM50367502 CILASTATIN

SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O

InChI Key InChIKey=DHSUYTOATWAVLW-WFVMDLQDSA-N

Data  5 KI  4 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 9 hits for monomerid = 50367502   

TargetDipeptidase 1(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM50367502(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
Affinity DataKi:  110nMAssay Description:Inhibitory activity against beta-lactamase renal dipeptidaseMore data for this Ligand-Target Pair
TargetDipeptidase 1(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM50367502(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
Affinity DataKi:  190nMAssay Description:Inhibitory activity against beta-lactamase renal dipeptidaseMore data for this Ligand-Target Pair
TargetDipeptidase 1(GUINEA PIG)
TBA

Curated by ChEMBL
LigandPNGBDBM50367502(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
Affinity DataKi:  210nMAssay Description:Inhibitory activity against beta-lactamase renal dipeptidaseMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 8(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50367502(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
Affinity DataKi:  2.31E+5nMAssay Description:TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 6(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50367502(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
Affinity DataKi:  1.47E+6nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 6(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50367502(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
Affinity DataIC50: 2.55E+6nMAssay Description:TP_TRANSPORTER: inhibition of PHA uptake (PHA: 5uM) in hOAT1-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 6(Rattus norvegicus)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50367502(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
Affinity DataIC50: 2.39E+6nMAssay Description:TP_TRANSPORTER: inhibition of PHA uptake (PHA: 5uM) in rOAT1-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 8(Homo sapiens (Human))
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50367502(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
Affinity DataIC50: 2.49E+5nMAssay Description:TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cellsMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 8(Rattus norvegicus)
Kyorin University

Curated by ChEMBL
LigandPNGBDBM50367502(CILASTATIN)
Show SMILES CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
Affinity DataIC50: 7.42E+5nMAssay Description:TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in rOAT3-expressing S2 cellsMore data for this Ligand-Target Pair