BDBM354549 6-((2-ethyl-6-(1-(2- (3-hydroxyazetidin- 1-yl)-2- oxoethyl)piperidin- 4-yl)imidazo[1,2- b]pyridazin-3- yl)(methyl)amino)- 2-(4- fluorophenyl) nicotinonitrile::US9796719, Compound 218

SMILES: CCc1nc2ccc(nn2c1N(C)c1ccc(C#N)c(n1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1

InChI Key: InChIKey=WNHWUMMOLAOQGT-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 354549   

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))	BDBM354549 (6-((2-ethyl-6-(1-(2- (3-hydroxyazetidin- 1-yl)-2- ...) Show SMILES CCc1nc2ccc(nn2c1N(C)c1ccc(C#N)c(n1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C31H33FN8O2/c1-3-25-31(37(2)27-10-6-22(16-33)30(35-27)21-4-7-23(32)8-5-21)40-28(34-25)11-9-26(36-40)20-12-14-38(15-13-20)19-29(42)39-17-24(41)18-39/h4-11,20,24,41H,3,12-15,17-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...				US Patent US9796719 (2017) BindingDB Entry DOI: 10.7270/Q2G44SDR
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM354549 (6-((2-ethyl-6-(1-(2- (3-hydroxyazetidin- 1-yl)-2- ...) Show SMILES CCc1nc2ccc(nn2c1N(C)c1ccc(C#N)c(n1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C31H33FN8O2/c1-3-25-31(37(2)27-10-6-22(16-33)30(35-27)21-4-7-23(32)8-5-21)40-28(34-25)11-9-26(36-40)20-12-14-38(15-13-20)19-29(42)39-17-24(41)18-39/h4-11,20,24,41H,3,12-15,17-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU Curated by ChEMBL					Assay Description Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric...				J Med Chem 60: 3580-3590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00032 BindingDB Entry DOI: 10.7270/Q25141PD
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM354549 (6-((2-ethyl-6-(1-(2- (3-hydroxyazetidin- 1-yl)-2- ...) Show SMILES CCc1nc2ccc(nn2c1N(C)c1ccc(C#N)c(n1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C31H33FN8O2/c1-3-25-31(37(2)27-10-6-22(16-33)30(35-27)21-4-7-23(32)8-5-21)40-28(34-25)11-9-26(36-40)20-12-14-38(15-13-20)19-29(42)39-17-24(41)18-39/h4-11,20,24,41H,3,12-15,17-19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...				US Patent US9796719 (2017) BindingDB Entry DOI: 10.7270/Q2G44SDR
					More data for this Ligand-Target Pair