Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50020435   

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 2 (Homo sapiens (Human))	BDBM50213736 (7-chloro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-d...) Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O |t:9| Show InChI InChI=1S/C19H14ClN3O4S/c20-12-10-15(24)18-17(11-12)28(25,26)23-19(22-18)21-14-8-4-5-9-16(14)27-13-6-2-1-3-7-13/h1-11,24H,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR				Bioorg Med Chem Lett 17: 3864-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.011 BindingDB Entry DOI: 10.7270/Q21C1WKG
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50213741 (3-(2-bromo-phenylamino)-7-chloro-1,1-dioxo-1,4-dih...) Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O |t:9| Show InChI InChI=1S/C13H9BrClN3O3S/c14-8-3-1-2-4-9(8)16-13-17-12-10(19)5-7(15)6-11(12)22(20,21)18-13/h1-6,19H,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR				Bioorg Med Chem Lett 17: 3864-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.011 BindingDB Entry DOI: 10.7270/Q21C1WKG
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50213746 (7-chloro-3-(2-chloro-3-fluoro-phenylamino)-1,1-dio...) Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1cccc(F)c1Cl)NS2(=O)=O |t:9| Show InChI InChI=1S/C13H8Cl2FN3O3S/c14-6-4-9(20)12-10(5-6)23(21,22)19-13(18-12)17-8-3-1-2-7(16)11(8)15/h1-5,20H,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR				Bioorg Med Chem Lett 17: 3864-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.011 BindingDB Entry DOI: 10.7270/Q21C1WKG
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50213737 (7-nitro-1,1-dioxo-3-(2-phenoxy-phenylamino)-1,4-di...) Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8| Show InChI InChI=1S/C19H14N4O6S/c24-15-10-12(23(25)26)11-17-18(15)21-19(22-30(17,27)28)20-14-8-4-5-9-16(14)29-13-6-2-1-3-7-13/h1-11,24H,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR				Bioorg Med Chem Lett 17: 3864-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.011 BindingDB Entry DOI: 10.7270/Q21C1WKG
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50213747 (7-chloro-3-(2-chloro-phenylamino)-1,1-dioxo-1,4-di...) Show SMILES Oc1cc(Cl)cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O |t:9| Show InChI InChI=1S/C13H9Cl2N3O3S/c14-7-5-10(19)12-11(6-7)22(20,21)18-13(17-12)16-9-4-2-1-3-8(9)15/h1-6,19H,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR				Bioorg Med Chem Lett 17: 3864-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.011 BindingDB Entry DOI: 10.7270/Q21C1WKG
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50213750 (3-(2-bromo-phenylamino)-7-nitro-1,1-dioxo-1,4-dihy...) Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O)[N+]([O-])=O |t:8| Show InChI InChI=1S/C13H9BrN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR				Bioorg Med Chem Lett 17: 3864-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.011 BindingDB Entry DOI: 10.7270/Q21C1WKG
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50213744 (3-(2-chloro-phenylamino)-7-nitro-1,1-dioxo-1,4-dih...) Show SMILES Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8| Show InChI InChI=1S/C13H9ClN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR				Bioorg Med Chem Lett 17: 3864-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.011 BindingDB Entry DOI: 10.7270/Q21C1WKG
					More data for this Ligand-Target Pair