Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50037329   

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))	BDBM50152761 (3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...) Show SMILES NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O Show InChI InChI=1S/C13H11BrClN3O4S/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)12(11(10)19)23(16,21)22/h1-6,19H,(H2,16,21,22)(H2,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50152759 (3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...) Show SMILES NC(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O Show InChI InChI=1S/C14H11BrClN3O3/c15-7-3-1-2-4-9(7)18-14(22)19-10-6-5-8(16)11(12(10)20)13(17)21/h1-6,20H,(H2,17,21)(H2,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50152760 (3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-N...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O Show InChI InChI=1S/C15H15BrClN3O4S/c1-20(2)25(23,24)14-10(17)7-8-12(13(14)21)19-15(22)18-11-6-4-3-5-9(11)16/h3-8,21H,1-2H3,(H2,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50152762 (1-(2-Bromo-phenyl)-3-(3,4-dichloro-2-hydroxy-pheny...) Show SMILES Oc1c(Cl)c(Cl)ccc1NC(=O)Nc1ccccc1Br Show InChI InChI=1S/C13H9BrCl2N2O2/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)11(16)12(10)19/h1-6,19H,(H2,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50152763 (1-(3-Aminomethyl-4-chloro-2-hydroxy-phenyl)-3-(2-b...) Show SMILES NCc1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O Show InChI InChI=1S/C14H13BrClN3O2/c15-9-3-1-2-4-11(9)18-14(21)19-12-6-5-10(16)8(7-17)13(12)20/h1-6,20H,7,17H2,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50152764 (1-(2-Bromo-phenyl)-3-(4-chloro-2-hydroxy-phenyl)-u...) Show SMILES Oc1cc(Cl)ccc1NC(=O)Nc1ccccc1Br Show InChI InChI=1S/C13H10BrClN2O2/c14-9-3-1-2-4-10(9)16-13(19)17-11-6-5-8(15)7-12(11)18/h1-7,18H,(H2,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	906	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50152761 (3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...) Show SMILES NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O Show InChI InChI=1S/C13H11BrClN3O4S/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)12(11(10)19)23(16,21)22/h1-6,19H,(H2,16,21,22)(H2,17,18,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50152760 (3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-N...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O Show InChI InChI=1S/C15H15BrClN3O4S/c1-20(2)25(23,24)14-10(17)7-8-12(13(14)21)19-15(22)18-11-6-4-3-5-9(11)16/h3-8,21H,1-2H3,(H2,18,19,22)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50152759 (3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...) Show SMILES NC(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O Show InChI InChI=1S/C14H11BrClN3O3/c15-7-3-1-2-4-9(7)18-14(22)19-10-6-5-8(16)11(12(10)20)13(17)21/h1-6,20H,(H2,17,21)(H2,18,19,22)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50152762 (1-(2-Bromo-phenyl)-3-(3,4-dichloro-2-hydroxy-pheny...) Show SMILES Oc1c(Cl)c(Cl)ccc1NC(=O)Nc1ccccc1Br Show InChI InChI=1S/C13H9BrCl2N2O2/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)11(16)12(10)19/h1-6,19H,(H2,17,18,20)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50152763 (1-(3-Aminomethyl-4-chloro-2-hydroxy-phenyl)-3-(2-b...) Show SMILES NCc1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O Show InChI InChI=1S/C14H13BrClN3O2/c15-9-3-1-2-4-11(9)18-14(21)19-12-6-5-10(16)8(7-17)13(12)20/h1-6,20H,7,17H2,(H2,18,19,21)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells				Bioorg Med Chem Lett 14: 4375-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.097 BindingDB Entry DOI: 10.7270/Q2SQ914M
					More data for this Ligand-Target Pair