BDBM50370585 Anspor::CEPHRADINE::Cefradine

SMILES: CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O

InChI Key: InChIKey=RDLPVSKMFDYCOR-UEKVPHQBSA-N

Data: 5 KI  3 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 8 hits for monomerid = 50370585   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50370585 (Anspor | CEPHRADINE | Cefradine) Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14| Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Oligopeptide transporter, kidney isoform (Rattus norvegicus)	BDBM50370585 (Anspor | CEPHRADINE | Cefradine) Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14| Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50370585 (Anspor | CEPHRADINE | Cefradine) Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14| Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 1 (Rattus norvegicus)	BDBM50370585 (Anspor | CEPHRADINE | Cefradine) Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14| Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	8.54E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50370585 (Anspor | CEPHRADINE | Cefradine) Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14| Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	9.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells				J Med Chem 48: 4410-9 (2005) Article DOI: 10.1021/jm048982w BindingDB Entry DOI: 10.7270/Q2Q24116
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50370585 (Anspor | CEPHRADINE | Cefradine) Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14| Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of 6-Carboxyfluorescein uptake in OAT1-expressing CHO cells				Anal Biochem 283: 49-55 (2000) Article DOI: 10.1006/abio.2000.4633 BindingDB Entry DOI: 10.7270/Q2DR2ZC6
					More data for this Ligand-Target Pair
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50370585 (Anspor | CEPHRADINE | Cefradine) Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14| Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	1.53E+7	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells				J Pharm Sci 88: 347-50 (1999) Article DOI: 10.1021/js980132e BindingDB Entry DOI: 10.7270/Q22V2H6H
					More data for this Ligand-Target Pair
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50370585 (Anspor | CEPHRADINE | Cefradine) Show SMILES CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O |r,c:17,t:1,14| Show InChI InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	DrugBank PubMed	n/a	n/a	1.50E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells				Pharm Res 15: 1154-9 (1998) BindingDB Entry DOI: 10.7270/Q2BC40M3
					More data for this Ligand-Target Pair