Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 299.7 BDBM94647Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM94647 (1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...) Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM94647 (1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...) Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM94647 (1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...) Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125]CXCL10 from human CXCR3 expressed in CHO cells				Bioorg Med Chem Lett 18: 1573-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.074 BindingDB Entry DOI: 10.7270/Q2QZ2BTF
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM94647 (1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...) Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells by FLIPR-based calcium mobilization assay				Bioorg Med Chem Lett 18: 1573-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.074 BindingDB Entry DOI: 10.7270/Q2QZ2BTF
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM94647 (1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...) Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR				Bioorg Med Chem Lett 18: 2414-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.049 BindingDB Entry DOI: 10.7270/Q2BP03NC
					More data for this Ligand-Target Pair
Xylosyl- and glucuronyltransferase LARGE1 (Homo sapiens (Human))	BDBM94647 (1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...) Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2833QM1
					More data for this Ligand-Target Pair