BDBM50420238 CHEMBL156

SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=FBOZXECLQNJBKD-CYBMUJFWSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50420238   

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)	BDBM50420238 (CHEMBL156) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	9.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of L-MTX uptake in bile canalicular membrane vesicles from SD rat				Cancer Res 57: 3506-10 (1997) BindingDB Entry DOI: 10.7270/Q2571D9Z
					More data for this Ligand-Target Pair