BDBM50391004 CHEMBL213947

SMILES: N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O

InChI Key: InChIKey=FXEUKVKGTKDDIQ-VHSXEESVSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50391004   

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
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus)	BDBM50391004 (CHEMBL213947) Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Temocaprilat uptake in bile canalicular membrane vesicles from SD rat				J Pharmacol Exp Ther 280: 1304-11 (1997) BindingDB Entry DOI: 10.7270/Q26M37WC
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus)	BDBM50391004 (CHEMBL213947) Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of 5-methyltetrahydrofolate uptake in bile canalicular membrane vesicles from SD rat				Am J Physiol 275: 789-96 (1998) Article DOI: 10.1152/ajpgi.1998.275.4.G789 BindingDB Entry DOI: 10.7270/Q2Z320RZ
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Rattus norvegicus)	BDBM50391004 (CHEMBL213947) Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	8.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from Mrp3-expressing Sf9 cells				Pharm Res 19: 34-41 (2002) BindingDB Entry DOI: 10.7270/Q2G44RCW
					More data for this Ligand-Target Pair
Multidrug resistance associated protein (Homo sapiens (Human))	BDBM50391004 (CHEMBL213947) Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	3.37E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells				Pharm Res 19: 34-41 (2002) BindingDB Entry DOI: 10.7270/Q2G44RCW
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus)	BDBM50391004 (CHEMBL213947) Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Deutsches Krebsforschungszentrum Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Naf-GlcA uptake (Naf-GlcA: 0.1 uM) in bile canalicular membrane vesicles of Wistar rat				Biochem Pharmacol 48: 1113-20 (1994) BindingDB Entry DOI: 10.7270/Q2V1262V
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Rattus norvegicus)	BDBM50391004 (CHEMBL213947) Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.055 uM) in membrane vesicles from Mrp2-expressing Sf9 cells				Mol Pharmacol 59: 1077-85 (2001) Article DOI: 10.1124/mol.59.5.1077 BindingDB Entry DOI: 10.7270/Q2348P8T
					More data for this Ligand-Target Pair