Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'gardiner' and Initial = 's'   

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))	BDBM50371784 (CHEMBL446458) Show SMILES C[C@H](CO)Nc1[nH]c(SCc2cccc(F)c2F)nc2nc(=O)sc12 Show InChI InChI=1S/C15H14F2N4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371789 (CHEMBL256668) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12 Show InChI InChI=1S/C16H15F2N5O2S/c1-8(6-24)20-14-13-15(21-11(25)5-19-13)23-16(22-14)26-7-9-3-2-4-10(17)12(9)18/h2-5,8,24H,6-7H2,1H3,(H2,20,21,22,23,25)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371773 (CHEMBL403225) Show SMILES C[C@H](CO)Nc1[nH]c(SCc2cccc(Cl)c2F)nc2nc(=O)sc12 Show InChI InChI=1S/C15H14ClFN4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371771 (CHEMBL271012) Show SMILES C[C@H](CO)Nc1[nH]c(SCc2ccccc2F)nc2nc(=O)sc12 Show InChI InChI=1S/C15H15FN4O2S2/c1-8(6-21)17-12-11-13(20-15(22)24-11)19-14(18-12)23-7-9-4-2-3-5-10(9)16/h2-5,8,21H,6-7H2,1H3,(H2,17,18,19,20,22)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371787 (CHEMBL272105) Show SMILES COC(=O)c1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[nH]c1=O Show InChI InChI=1S/C18H17F2N5O4S/c1-8(6-26)21-14-12-15(23-16(27)13(22-12)17(28)29-2)25-18(24-14)30-7-9-4-3-5-10(19)11(9)20/h3-5,8,26H,6-7H2,1-2H3,(H2,21,23,24,25,27)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371774 (CHEMBL429791) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2nc(N)sc12 Show InChI InChI=1S/C15H15ClFN5OS2/c1-7(5-23)19-12-11-13(20-14(18)25-11)22-15(21-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,23H,5-6H2,1H3,(H3,18,19,20,21,22)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371783 (CHEMBL397237) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12 Show InChI InChI=1S/C15H15F2N5OS2/c1-7(5-23)19-12-11-13(20-14(18)25-11)22-15(21-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,23H,5-6H2,1H3,(H3,18,19,20,21,22)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371790 (CHEMBL429682) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NS(C)(=O)=O)sc12 Show InChI InChI=1S/C16H17F2N5O3S3/c1-8(6-24)19-13-12-14(22-16(28-12)23-29(2,25)26)21-15(20-13)27-7-9-4-3-5-10(17)11(9)18/h3-5,8,24H,6-7H2,1-2H3,(H2,19,20,21,22,23)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371769 (CHEMBL402986) Show SMILES C[C@H](CO)Nc1[nH]c(SCc2ccccc2)nc2nc(=O)sc12 Show InChI InChI=1S/C15H16N4O2S2/c1-9(7-20)16-12-11-13(19-15(21)23-11)18-14(17-12)22-8-10-5-3-2-4-6-10/h2-6,9,20H,7-8H2,1H3,(H2,16,17,18,19,21)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371777 (CHEMBL272705) Show SMILES C[C@H](CO)Nc1nc(SCc2ccco2)[nH]c2nc(=O)sc12 Show InChI InChI=1S/C13H14N4O3S2/c1-7(5-18)14-10-9-11(17-13(19)22-9)16-12(15-10)21-6-8-3-2-4-20-8/h2-4,7,18H,5-6H2,1H3,(H2,14,15,16,17,19)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371793 (CHEMBL271703) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)cnc12 Show InChI InChI=1S/C16H16F2N6OS/c1-8(6-25)21-14-13-15(22-11(19)5-20-13)24-16(23-14)26-7-9-3-2-4-10(17)12(9)18/h2-5,8,25H,6-7H2,1H3,(H3,19,21,22,23,24)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371772 (CHEMBL232846) Show SMILES C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12 Show InChI InChI=1S/C15H16FN5OS2/c1-8(6-22)18-12-11-13(19-14(17)24-11)21-15(20-12)23-7-9-4-2-3-5-10(9)16/h2-5,8,22H,6-7H2,1H3,(H3,17,18,19,20,21)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371770 (CHEMBL271013) Show SMILES C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12 Show InChI InChI=1S/C15H17N5OS2/c1-9(7-21)17-12-11-13(18-14(16)23-11)20-15(19-12)22-8-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H3,16,17,18,19,20)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371795 (CHEMBL257006) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)[nH]c12 Show InChI InChI=1S/C15H16F2N6OS/c1-7(5-24)19-12-11-13(21-14(18)20-11)23-15(22-12)25-6-8-3-2-4-9(16)10(8)17/h2-4,7,24H,5-6H2,1H3,(H4,18,19,20,21,22,23)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371780 (CHEMBL403656) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)c(cc12)C#N Show InChI InChI=1S/C18H15F2N5O2S/c1-9(7-26)22-15-12-5-11(6-21)17(27)23-16(12)25-18(24-15)28-8-10-3-2-4-13(19)14(10)20/h2-5,9,26H,7-8H2,1H3,(H2,22,23,24,25,27)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371778 (CHEMBL233263) Show SMILES C[C@H](CO)Nc1nc(SCc2ccco2)nc2nc(N)sc12 Show InChI InChI=1S/C13H15N5O2S2/c1-7(5-19)15-10-9-11(16-12(14)22-9)18-13(17-10)21-6-8-3-2-4-20-8/h2-4,7,19H,5-6H2,1H3,(H3,14,15,16,17,18)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371786 (CHEMBL403877) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C16H15F2N5O3S/c1-7(5-24)19-12-11-13(21-15(26)14(25)20-11)23-16(22-12)27-6-8-3-2-4-9(17)10(8)18/h2-4,7,24H,5-6H2,1H3,(H,20,25)(H2,19,21,22,23,26)/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371775 (CHEMBL402728) Show SMILES C[C@H](CO)Nc1[nH]c(SCc2csc(C)n2)nc2nc(=O)sc12 Show InChI InChI=1S/C13H15N5O2S3/c1-6(3-19)14-10-9-11(18-13(20)23-9)17-12(16-10)22-5-8-4-21-7(2)15-8/h4,6,19H,3,5H2,1-2H3,(H2,14,16,17,18,20)/t6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371776 (CHEMBL390191) Show SMILES C[C@H](CO)Nc1nc(SCc2csc(C)n2)nc2nc(N)sc12 Show InChI InChI=1S/C13H16N6OS3/c1-6(3-20)15-10-9-11(17-12(14)23-9)19-13(18-10)22-5-8-4-21-7(2)16-8/h4,6,20H,3,5H2,1-2H3,(H3,14,15,17,18,19)/t6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371792 (CHEMBL403702) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2ncc(C)nc12 Show InChI InChI=1S/C17H17F2N5OS/c1-9-6-20-15-14(21-9)16(22-10(2)7-25)24-17(23-15)26-8-11-4-3-5-12(18)13(11)19/h3-6,10,25H,7-8H2,1-2H3,(H,20,22,23,24)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371779 (CHEMBL257025) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2n[nH]cc12 Show InChI InChI=1S/C15H15F2N5OS/c1-8(6-23)19-13-10-5-18-22-14(10)21-15(20-13)24-7-9-3-2-4-11(16)12(9)17/h2-5,8,23H,6-7H2,1H3,(H2,18,19,20,21,22)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371782 (CHEMBL257659) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(C)cnc12 Show InChI InChI=1S/C17H17F2N5OS/c1-9-6-20-14-15(21-9)23-17(24-16(14)22-10(2)7-25)26-8-11-4-3-5-12(18)13(11)19/h3-6,10,25H,7-8H2,1-2H3,(H,21,22,23,24)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371791 (CHEMBL404057) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nccnc12 Show InChI InChI=1S/C16H15F2N5OS/c1-9(7-24)21-15-13-14(20-6-5-19-13)22-16(23-15)25-8-10-3-2-4-11(17)12(10)18/h2-6,9,24H,7-8H2,1H3,(H,20,21,22,23)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371788 (CHEMBL257269) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)ccc12 Show InChI InChI=1S/C17H16F2N4O2S/c1-9(7-24)20-15-11-5-6-13(25)21-16(11)23-17(22-15)26-8-10-3-2-4-12(18)14(10)19/h2-6,9,24H,7-8H2,1H3,(H2,20,21,22,23,25)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371794 (CHEMBL270446) Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(C)[nH]c12 Show InChI InChI=1S/C16H17F2N5OS/c1-8(6-24)19-14-13-15(21-9(2)20-13)23-16(22-14)25-7-10-4-3-5-11(17)12(10)18/h3-5,8,24H,6-7H2,1-2H3,(H2,19,20,21,22,23)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371781 (CHEMBL258334) Show SMILES C[C@H](CO)Nc1nc(SCc2ccccc2)nc2sc(N)nc12 Show InChI InChI=1S/C15H17N5OS2/c1-9(7-21)17-12-11-13(23-14(16)18-11)20-15(19-12)22-8-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H2,16,18)(H,17,19,20)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371785 (CHEMBL257027) Show SMILES C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C15H17N5O2S/c1-9(7-21)16-12-11-13(18-14(22)17-11)20-15(19-12)23-8-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H3,16,17,18,19,20,22)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50432704 (CHEMBL2348218) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H34FN3O6/c29-22-3-1-21(2-4-22)13-16-36-17-18-37-26-9-11-27(12-10-26)38-20-25(34)19-30-14-15-31-28(35)32-23-5-7-24(33)8-6-23/h1-12,25,30,33-34H,13-20H2,(H2,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027885 (CHEMBL2348213) Show SMILES Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1 Show InChI InChI=1S/C26H37N3O5/c1-20-5-4-6-21(17-20)29-26(31)28-14-13-27-18-22(30)19-34-25-11-9-24(10-12-25)33-16-15-32-23-7-2-3-8-23/h4-6,9-12,17,22-23,27,30H,2-3,7-8,13-16,18-19H2,1H3,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027887 (CHEMBL2348212) Show SMILES Cc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C26H37N3O5/c1-20-6-2-5-9-25(20)29-26(31)28-15-14-27-18-21(30)19-34-24-12-10-23(11-13-24)33-17-16-32-22-7-3-4-8-22/h2,5-6,9-13,21-22,27,30H,3-4,7-8,14-19H2,1H3,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432702 (CHEMBL2348211) Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H35N3O5/c29-21(18-26-14-15-27-25(30)28-20-6-2-1-3-7-20)19-33-24-12-10-23(11-13-24)32-17-16-31-22-8-4-5-9-22/h1-3,6-7,10-13,21-22,26,29H,4-5,8-9,14-19H2,(H2,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027888 (CHEMBL2348210) Show SMILES OC(CNCCNC(=O)Nc1cccc(O)c1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H35N3O6/c29-20-5-3-4-19(16-20)28-25(31)27-13-12-26-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,26,29-30H,1-2,6-7,12-15,17-18H2,(H2,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432707 (LK-204-545 | LK-204545) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027889 (CHEMBL2348209) Show SMILES OC(CNCCNC(=O)Nc1ccccc1O)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H35N3O6/c29-19(17-26-13-14-27-25(31)28-23-7-3-4-8-24(23)30)18-34-22-11-9-21(10-12-22)33-16-15-32-20-5-1-2-6-20/h3-4,7-12,19-20,26,29-30H,1-2,5-6,13-18H2,(H2,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027880 (CHEMBL2348208) Show SMILES OC(CNCCNC(=O)Nc1ccc(cc1)C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C26H34F3N3O5/c27-26(28,29)19-5-7-20(8-6-19)32-25(34)31-14-13-30-17-21(33)18-37-24-11-9-23(10-12-24)36-16-15-35-22-3-1-2-4-22/h5-12,21-22,30,33H,1-4,13-18H2,(H2,31,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027881 (CHEMBL2348207) Show SMILES OC(CNCCNC(=O)Nc1cccc(c1)C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C26H34F3N3O5/c27-26(28,29)19-4-3-5-20(16-19)32-25(34)31-13-12-30-17-21(33)18-37-24-10-8-23(9-11-24)36-15-14-35-22-6-1-2-7-22/h3-5,8-11,16,21-22,30,33H,1-2,6-7,12-15,17-18H2,(H2,31,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027882 (CHEMBL2348206) Show SMILES OC(CNCCNC(=O)Nc1ccccc1C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C26H34F3N3O5/c27-26(28,29)23-7-3-4-8-24(23)32-25(34)31-14-13-30-17-19(33)18-37-22-11-9-21(10-12-22)36-16-15-35-20-5-1-2-6-20/h3-4,7-12,19-20,30,33H,1-2,5-6,13-18H2,(H2,31,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027883 (CHEMBL2348205) Show SMILES OC(CNCCNC(=O)Nc1ccc(Br)cc1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34BrN3O5/c26-19-5-7-20(8-6-19)29-25(31)28-14-13-27-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,27,30H,1-4,13-18H2,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50432707 (LK-204-545 | LK-204545) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027884 (CHEMBL2348204) Show SMILES OC(CNCCNC(=O)Nc1cccc(Br)c1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34BrN3O5/c26-19-4-3-5-20(16-19)29-25(31)28-13-12-27-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,27,30H,1-2,6-7,12-15,17-18H2,(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50027879 (CGP-12177 | CHEBI:73288) Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(O)nc12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50432700 (AB-A-663 | AC-263780 | CIMATEROL) Show SMILES CC(C)NCC(O)c1ccc(N)c(c1)C#N Show InChI InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25748 (3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...) Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50432702 (CHEMBL2348211) Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H35N3O5/c29-21(18-26-14-15-27-25(30)28-20-6-2-1-3-7-20)19-33-24-12-10-23(11-13-24)32-17-16-31-22-8-4-5-9-22/h1-3,6-7,10-13,21-22,26,29H,4-5,8-9,14-19H2,(H2,27,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50432707 (LK-204-545 | LK-204545) Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25748 (3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...) Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.331	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027875 (CHEMBL2348202) Show SMILES OC(CNCCNC(=O)Nc1ccc(Cl)cc1)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34ClN3O5/c26-19-5-7-20(8-6-19)29-25(31)28-14-13-27-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,27,30H,1-4,13-18H2,(H2,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027874 (CHEMBL2348203) Show SMILES OC(CNCCNC(=O)Nc1ccccc1Br)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34BrN3O5/c26-23-7-3-4-8-24(23)29-25(31)28-14-13-27-17-19(30)18-34-22-11-9-21(10-12-22)33-16-15-32-20-5-1-2-6-20/h3-4,7-12,19-20,27,30H,1-2,5-6,13-18H2,(H2,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50027876 (CHEMBL2348200) Show SMILES OC(CNCCNC(=O)Nc1ccccc1Cl)COc1ccc(OCCOC2CCCC2)cc1 Show InChI InChI=1S/C25H34ClN3O5/c26-23-7-3-4-8-24(23)29-25(31)28-14-13-27-17-19(30)18-34-22-11-9-21(10-12-22)33-16-15-32-20-5-1-2-6-20/h3-4,7-12,19-20,27,30H,1-2,5-6,13-18H2,(H2,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis				J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 148 total )  |  Next  |  Last  >>

Jump to: