BDBM50300221 2-(4-{[(3,5-Dimethylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid::CHEMBL569652

SMILES: CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(C)cc(C)c1

InChI Key: InChIKey=AFNXXFAUQZBFJV-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50300221   

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))	BDBM50300221 (2-(4-{[(3,5-Dimethylphenyl)amino]carbonothioyl}-1-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(C)cc(C)c1 Show InChI InChI=1S/C23H26N6O3S/c1-4-27-13-18(21(31)32)19(30)17-12-24-22(26-20(17)27)28-5-7-29(8-6-28)23(33)25-16-10-14(2)9-15(3)11-16/h9-13H,4-8H2,1-3H3,(H,25,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300221 (2-(4-{[(3,5-Dimethylphenyl)amino]carbonothioyl}-1-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(C)cc(C)c1 Show InChI InChI=1S/C23H26N6O3S/c1-4-27-13-18(21(31)32)19(30)17-12-24-22(26-20(17)27)28-5-7-29(8-6-28)23(33)25-16-10-14(2)9-15(3)11-16/h9-13H,4-8H2,1-3H3,(H,25,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair