BDBM303657 (3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-2-yl]-1- [4- [[methyl(tetrahydrofuran- 3- yl)amino]methyl]phenyl]- 5-oxo-pyrrolidine-3- carboxamide::US10138230, Example F87

SMILES: [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)C2CCOC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1

InChI Key: InChIKey=XNEJYIGTXTVEEU-AJZOCDQUSA-N

Data: 1 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 1 hit for monomerid = 303657   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM303657 ((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...) Show SMILES [H][C@]1(CN(C(=O)C1)c1ccc(CN(C)C2CCOC2)cc1)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1 |r| Show InChI InChI=1S/C27H30ClN5O3S/c1-32(23-12-13-36-17-23)15-19-4-9-22(10-5-19)33-16-20(14-25(33)34)26(35)29-27-31-30-24(37-27)11-6-18-2-7-21(28)8-3-18/h2-5,7-10,20,23H,6,11-17H2,1H3,(H,29,31,35)/t20-,23?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...				US Patent US10138230 (2018) BindingDB Entry DOI: 10.7270/Q27S7QV8
					More data for this Ligand-Target Pair