Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'mercer' and Initial = 'm'   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055260 (CHEMBL3323658) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1CCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H26N2O3S/c25-18-12-11-16(21-20(18)24-22(27)28-21)19(26)13-23-17-8-4-7-15(17)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,17,19,23,25-26H,4,7-10,13H2,(H,24,27)/t15-,17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055263 (CHEMBL3323654) Show SMILES O[C@@H](CN[C@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055260 (CHEMBL3323658) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1CCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H26N2O3S/c25-18-12-11-16(21-20(18)24-22(27)28-21)19(26)13-23-17-8-4-7-15(17)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,17,19,23,25-26H,4,7-10,13H2,(H,24,27)/t15-,17-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324856 (7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055245 (CHEMBL3323668) Show SMILES CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H26N2O3S/c1-2-3-5-14-6-4-7-15(12-14)10-11-22-13-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h4,6-9,12,18,22,24-25H,2-3,5,10-11,13H2,1H3,(H,23,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055249 (CHEMBL3323670) Show SMILES CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H26N2O4S/c1-2-3-11-27-15-6-4-5-14(12-15)9-10-22-13-18(25)16-7-8-17(24)19-20(16)28-21(26)23-19/h4-8,12,18,22,24-25H,2-3,9-11,13H2,1H3,(H,23,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055251 (CHEMBL3323655) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C20H28N2O3S/c23-16-10-9-14(19-18(16)22-20(25)26-19)17(24)11-21-15-8-4-7-13(15)12-5-2-1-3-6-12/h9-10,12-13,15,17,21,23-24H,1-8,11H2,(H,22,25)/t13-,15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50324855 (7-((R)-2-((1S,2S)-2-(benzyloxy)cyclopentylamino)-1...) Show SMILES O[C@@H](CN[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM86453 (CAS_73573-87-2 | Formoterol | NSC_3083544) Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1 Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25771 (1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055254 (CHEMBL3323666) Show SMILES CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-2-4-13-5-3-6-14(11-13)9-10-21-12-17(24)15-7-8-16(23)18-19(15)26-20(25)22-18/h3,5-8,11,17,21,23-24H,2,4,9-10,12H2,1H3,(H,22,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055246 (CHEMBL3323669) Show SMILES CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C21H26N2O4S/c1-2-3-12-27-15-6-4-14(5-7-15)10-11-22-13-18(25)16-8-9-17(24)19-20(16)28-21(26)23-19/h4-9,18,22,24-25H,2-3,10-13H2,1H3,(H,23,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055252 (CHEMBL3323657) Show SMILES CC(C)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C17H24N2O3S/c1-9(2)10-4-3-5-12(10)18-8-14(21)11-6-7-13(20)15-16(11)23-17(22)19-15/h6-7,9-10,12,14,18,20-21H,3-5,8H2,1-2H3,(H,19,22)/t10-,12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055249 (CHEMBL3323670) Show SMILES CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H26N2O4S/c1-2-3-11-27-15-6-4-5-14(12-15)9-10-22-13-18(25)16-7-8-17(24)19-20(16)28-21(26)23-19/h4-8,12,18,22,24-25H,2-3,9-11,13H2,1H3,(H,23,26)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055254 (CHEMBL3323666) Show SMILES CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-2-4-13-5-3-6-14(11-13)9-10-21-12-17(24)15-7-8-16(23)18-19(15)26-20(25)22-18/h3,5-8,11,17,21,23-24H,2,4,9-10,12H2,1H3,(H,22,25)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055253 (CHEMBL3323659) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C20H22N2O3S/c23-16-10-9-14(19-18(16)22-20(25)26-19)17(24)11-21-15-8-4-7-13(15)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15,17,21,23-24H,4,7-8,11H2,(H,22,25)/t13-,15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055243 (CHEMBL3323667) Show SMILES CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C21H26N2O3S/c1-13(2)11-15-5-3-14(4-6-15)9-10-22-12-18(25)16-7-8-17(24)19-20(16)27-21(26)23-19/h3-8,13,18,22,24-25H,9-12H2,1-2H3,(H,23,26)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055250 (CHEMBL3323653) Show SMILES O[C@@H](CN[C@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055250 (CHEMBL3323653) Show SMILES O[C@@H](CN[C@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055243 (CHEMBL3323667) Show SMILES CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C21H26N2O3S/c1-13(2)11-15-5-3-14(4-6-15)9-10-22-12-18(25)16-7-8-17(24)19-20(16)27-21(26)23-19/h3-8,13,18,22,24-25H,9-12H2,1-2H3,(H,23,26)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055259 (CHEMBL3323660) Show SMILES Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C21H24N2O3S/c1-12-5-2-3-6-13(12)14-7-4-8-16(14)22-11-18(25)15-9-10-17(24)19-20(15)27-21(26)23-19/h2-3,5-6,9-10,14,16,18,22,24-25H,4,7-8,11H2,1H3,(H,23,26)/t14-,16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055245 (CHEMBL3323668) Show SMILES CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H26N2O3S/c1-2-3-5-14-6-4-7-15(12-14)10-11-22-13-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h4,6-9,12,18,22,24-25H,2-3,5,10-11,13H2,1H3,(H,23,26)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166735 (3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...) Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073296 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES CNc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C31H40FN5O4S/c1-33-26-9-7-25(8-10-26)20-29(31(39)37-17-13-23(11-15-32)14-18-37)36-42(40,41)30-21-34-16-12-28(30)35-27(22-38)19-24-5-3-2-4-6-24/h2-10,12,16,21,23,27,29,33,36,38H,11,13-15,17-20,22H2,1H3,(H,34,35)/t27-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055256 (CHEMBL3323663) Show SMILES CCc1cccc(c1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H26N2O3S/c1-2-13-5-3-6-14(11-13)15-7-4-8-17(15)23-12-19(26)16-9-10-18(25)20-21(16)28-22(27)24-20/h3,5-6,9-11,15,17,19,23,25-26H,2,4,7-8,12H2,1H3,(H,24,27)/t15-,17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076828 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES CNc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C30H38FN5O4S/c1-32-25-9-7-24(8-10-25)29(30(38)36-17-13-22(11-15-31)14-18-36)35-41(39,40)28-20-33-16-12-27(28)34-26(21-37)19-23-5-3-2-4-6-23/h2-10,12,16,20,22,26,29,32,35,37H,11,13-15,17-19,21H2,1H3,(H,33,34)/t26-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055246 (CHEMBL3323669) Show SMILES CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C21H26N2O4S/c1-2-3-12-27-15-6-4-14(5-7-15)10-11-22-13-18(25)16-8-9-17(24)19-20(16)28-21(26)23-19/h4-9,18,22,24-25H,2-3,10-13H2,1H3,(H,23,26)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076819 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C29H36FN5O4S/c30-14-10-21-12-16-35(17-13-21)29(37)28(23-6-8-24(31)9-7-23)34-40(38,39)27-19-32-15-11-26(27)33-25(20-36)18-22-4-2-1-3-5-22/h1-9,11,15,19,21,25,28,34,36H,10,12-14,16-18,20,31H2,(H,32,33)/t25-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055258 (CHEMBL3323661) Show SMILES Cc1cccc(c1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C21H24N2O3S/c1-12-4-2-5-13(10-12)14-6-3-7-16(14)22-11-18(25)15-8-9-17(24)19-20(15)27-21(26)23-19/h2,4-5,8-10,14,16,18,22,24-25H,3,6-7,11H2,1H3,(H,23,26)/t14-,16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073308 (4-[(R)-2-(4-Methoxy-phenyl)-1-methyl-ethylamino]-p...) Show SMILES COc1ccc(C[C@@H](C)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C31H40FN5O4S/c1-22(19-24-5-9-27(41-2)10-6-24)35-28-12-16-34-21-30(28)42(39,40)36-29(20-25-3-7-26(33)8-4-25)31(38)37-17-13-23(11-15-32)14-18-37/h3-10,12,16,21-23,29,36H,11,13-15,17-20,33H2,1-2H3,(H,34,35)/t22-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076823 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES NC(=N)NCC[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C26H38FN7O4S/c27-11-6-19-9-14-34(15-10-19)25(36)23(8-13-31-26(28)29)33-39(37,38)24-17-30-12-7-22(24)32-21(18-35)16-20-4-2-1-3-5-20/h1-5,7,12,17,19,21,23,33,35H,6,8-11,13-16,18H2,(H,30,32)(H4,28,29,31)/t21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 9: 1103-8 (1999) BindingDB Entry DOI: 10.7270/Q2SB44XG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50324856 (7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...) Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055263 (CHEMBL3323654) Show SMILES O[C@@H](CN[C@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073307 (4-((R)-1-Methyl-2-phenyl-ethylamino)-pyridine-3-su...) Show SMILES C[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C30H38FN5O3S/c1-22(19-24-5-3-2-4-6-24)34-27-12-16-33-21-29(27)40(38,39)35-28(20-25-7-9-26(32)10-8-25)30(37)36-17-13-23(11-15-31)14-18-36/h2-10,12,16,21-23,28,35H,11,13-15,17-20,32H2,1H3,(H,33,34)/t22-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073302 (4-((S)-2-Cyclohexyl-1-hydroxymethyl-ethylamino)-py...) Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)CC2CCCCC2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C30H44FN5O4S/c31-14-10-22-12-16-36(17-13-22)30(38)28(19-24-6-8-25(32)9-7-24)35-41(39,40)29-20-33-15-11-27(29)34-26(21-37)18-23-4-2-1-3-5-23/h6-9,11,15,20,22-23,26,28,35,37H,1-5,10,12-14,16-19,21,32H2,(H,33,34)/t26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073283 (4-[(S)-1-Hydroxymethyl-2-(4-methoxy-phenyl)-ethyla...) Show SMILES COc1ccc(C[C@@H](CO)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C31H40FN5O5S/c1-42-27-8-4-23(5-9-27)18-26(21-38)35-28-11-15-34-20-30(28)43(40,41)36-29(19-24-2-6-25(33)7-3-24)31(39)37-16-12-22(10-14-32)13-17-37/h2-9,11,15,20,22,26,29,36,38H,10,12-14,16-19,21,33H2,1H3,(H,34,35)/t26-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro inhibtion of human thrombin.				Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073283 (4-[(S)-1-Hydroxymethyl-2-(4-methoxy-phenyl)-ethyla...) Show SMILES COc1ccc(C[C@@H](CO)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C31H40FN5O5S/c1-42-27-8-4-23(5-9-27)18-26(21-38)35-28-11-15-34-20-30(28)43(40,41)36-29(19-24-2-6-25(33)7-3-24)31(39)37-16-12-22(10-14-32)13-17-37/h2-9,11,15,20,22,26,29,36,38H,10,12-14,16-19,21,33H2,1H3,(H,34,35)/t26-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro inhibtion of human thrombin.				Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073283 (4-[(S)-1-Hydroxymethyl-2-(4-methoxy-phenyl)-ethyla...) Show SMILES COc1ccc(C[C@@H](CO)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C31H40FN5O5S/c1-42-27-8-4-23(5-9-27)18-26(21-38)35-28-11-15-34-20-30(28)43(40,41)36-29(19-24-2-6-25(33)7-3-24)31(39)37-16-12-22(10-14-32)13-17-37/h2-9,11,15,20,22,26,29,36,38H,10,12-14,16-19,21,33H2,1H3,(H,34,35)/t26-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055255 (CHEMBL3323665) Show SMILES CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C20H24N2O3S/c1-2-3-13-4-6-14(7-5-13)10-11-21-12-17(24)15-8-9-16(23)18-19(15)26-20(25)22-18/h4-9,17,21,23-24H,2-3,10-12H2,1H3,(H,22,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073297 (4-[(S)-1-(4-Hydroxy-piperidin-1-ylmethyl)-2-phenyl...) Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCC(O)CC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C35H47FN6O4S/c36-16-10-26-12-20-42(21-13-26)35(44)33(23-28-6-8-29(37)9-7-28)40-47(45,46)34-24-38-17-11-32(34)39-30(22-27-4-2-1-3-5-27)25-41-18-14-31(43)15-19-41/h1-9,11,17,24,26,30-31,33,40,43H,10,12-16,18-23,25,37H2,(H,38,39)/t30-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073297 (4-[(S)-1-(4-Hydroxy-piperidin-1-ylmethyl)-2-phenyl...) Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCC(O)CC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C35H47FN6O4S/c36-16-10-26-12-20-42(21-13-26)35(44)33(23-28-6-8-29(37)9-7-28)40-47(45,46)34-24-38-17-11-32(34)39-30(22-27-4-2-1-3-5-27)25-41-18-14-31(43)15-19-41/h1-9,11,17,24,26,30-31,33,40,43H,10,12-16,18-23,25,37H2,(H,38,39)/t30-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro inhibtion of human thrombin.				Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073290 (4-{(S)-1-Benzyl-2-[bis-(2-methoxy-ethyl)-amino]-et...) Show SMILES COCCN(CCOC)C[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C36H51FN6O5S/c1-47-22-20-42(21-23-48-2)27-32(24-29-6-4-3-5-7-29)40-33-13-17-39-26-35(33)49(45,46)41-34(25-30-8-10-31(38)11-9-30)36(44)43-18-14-28(12-16-37)15-19-43/h3-11,13,17,26,28,32,34,41H,12,14-16,18-25,27,38H2,1-2H3,(H,39,40)/t32-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50166742 (3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...) Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055264 (CHEMBL3323671) Show SMILES Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C |r| Show InChI InChI=1S/C19H22N2O3S/c1-11-3-4-13(9-12(11)2)7-8-20-10-16(23)14-5-6-15(22)17-18(14)25-19(24)21-17/h3-6,9,16,20,22-23H,7-8,10H2,1-2H3,(H,21,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50318159 (8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...) Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073298 (4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyrid...) Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCOCC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C34H45FN6O4S/c35-14-10-26-12-16-41(17-13-26)34(42)32(23-28-6-8-29(36)9-7-28)39-46(43,44)33-24-37-15-11-31(33)38-30(22-27-4-2-1-3-5-27)25-40-18-20-45-21-19-40/h1-9,11,15,24,26,30,32,39H,10,12-14,16-23,25,36H2,(H,37,38)/t30-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro inhibtion of human thrombin.				Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073298 (4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyrid...) Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCOCC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C34H45FN6O4S/c35-14-10-26-12-16-41(17-13-26)34(42)32(23-28-6-8-29(36)9-7-28)39-46(43,44)33-24-37-15-11-31(33)38-30(22-27-4-2-1-3-5-27)25-40-18-20-45-21-19-40/h1-9,11,15,24,26,30,32,39H,10,12-14,16-23,25,36H2,(H,37,38)/t30-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073298 (4-((S)-1-Benzyl-2-morpholin-4-yl-ethylamino)-pyrid...) Show SMILES Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CN2CCOCC2)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 Show InChI InChI=1S/C34H45FN6O4S/c35-14-10-26-12-16-41(17-13-26)34(42)32(23-28-6-8-29(36)9-7-28)39-46(43,44)33-24-37-15-11-31(33)38-30(22-27-4-2-1-3-5-27)25-40-18-20-45-21-19-40/h1-9,11,15,24,26,30,32,39H,10,12-14,16-23,25,36H2,(H,37,38)/t30-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro inhibtion of human thrombin.				Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50166739 (3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...) Show SMILES N#Cc1cccc(c1)-c1nc(Nc2ccccn2)sc1-n1cncn1 Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells				Bioorg Med Chem Lett 15: 3081-5 (2005) Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073294 (4-((S)-1-Benzyl-2-dimethylamino-ethylamino)-pyridi...) Show SMILES CN(C)C[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C32H43FN6O3S/c1-38(2)23-28(20-25-6-4-3-5-7-25)36-29-13-17-35-22-31(29)43(41,42)37-30(21-26-8-10-27(34)11-9-26)32(40)39-18-14-24(12-16-33)15-19-39/h3-11,13,17,22,24,28,30,37H,12,14-16,18-21,23,34H2,1-2H3,(H,35,36)/t28-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro inhibtion of human thrombin.				Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 246 total )  |  Next  |  Last  >>

Jump to: