BDBM50532381 CHEMBL4538666

SMILES: N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O

InChI Key: InChIKey=XNRZJPQTMQZBCE-SFHVURJKSA-N

Data: 4 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 4 hits for monomerid = 50532381   

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
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human))	BDBM50532381 (CHEMBL4538666) Show SMILES N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of [14C]-L-leucine uptake at LAT1 in human YD-38 cells after 1 hr by liquid scintillation counting				J Med Chem 59: 5740-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00190
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human))	BDBM50532381 (CHEMBL4538666) Show SMILES N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of [14C]-L-leucine uptake at LAT1 in human HT-29 cells after 1 hr by liquid scintillation counting				J Med Chem 59: 5740-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00190
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human))	BDBM50532381 (CHEMBL4538666) Show SMILES N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of [14C]-L-leucine uptake at LAT1 in human HT-29 cells after 1 hr by liquid scintillation counting				J Med Chem 59: 5740-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00190
					More data for this Ligand-Target Pair
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human))	BDBM50532381 (CHEMBL4538666) Show SMILES N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)-c2ccccc2)c(Cl)c1)C(O)=O |r| Show InChI InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Inhibition of [14C]-L-leucine uptake at LAT1 in human YD-38 cells after 1 hr by liquid scintillation counting				J Med Chem 59: 5740-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00190
					More data for this Ligand-Target Pair