BDBM103961 ATX inhibitor 10::Disubstituted aryl-Me ATX inhibitor 3::Monosubstituted aryl-Me ATX inhibitor 5

SMILES: CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=BSGZTQWZIBOTMJ-LCYFTJDESA-N

Data: 4 IC50

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 4 hits for monomerid = 103961   

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
Autotaxin (mATX) (Mus musculus)	BDBM103961 (ATX inhibitor 10 | Disubstituted aryl-Me ATX inhib...) Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:8| Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo									ACS Chem Biol 8: 1713-21 (2013) Article DOI: 10.1021/cb400150c BindingDB Entry DOI: 10.7270/Q29022DC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM103961 (ATX inhibitor 10 | Disubstituted aryl-Me ATX inhib...) Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:8| Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) expressed in human HEK293 cells using TG-mTMP as substrate after 2 hrs by fluorescence based plate reader assay				J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967
					More data for this Ligand-Target Pair				3D Structure (crystal)
Autotaxin (mATX) (Mus musculus)	BDBM103961 (ATX inhibitor 10 | Disubstituted aryl-Me ATX inhib...) Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:8| Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...				ACS Chem Biol 8: 1713-21 (2013) Article DOI: 10.1021/cb400150c BindingDB Entry DOI: 10.7270/Q29022DC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Autotaxin (mATX) (Mus musculus)	BDBM103961 (ATX inhibitor 10 | Disubstituted aryl-Me ATX inhib...) Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1 |t:8| Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo					Assay Description Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...				ACS Chem Biol 8: 1713-21 (2013) Article DOI: 10.1021/cb400150c BindingDB Entry DOI: 10.7270/Q29022DC
					More data for this Ligand-Target Pair				3D Structure (crystal)