Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'xing' and Initial = 'r'   

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
Bifunctional purine biosynthesis protein ATIC (Homo sapiens (Human))	BDBM50277356 (CHEMBL4168306) Show SMILES Nc1nc2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H19N5O8S/c21-20-23-14-6-5-12(9-13(14)18(29)24-20)34(32,33)25-11-3-1-10(2-4-11)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebei Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AICARFTase using AICAR as substrate incubated at 37 degC for 30 mins measured after overnight incubation at 4 degC				Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50277355 (CHEMBL4177183) Show SMILES Nc1nc2[nH]c(CC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C15H18N6O7/c16-15-20-12-7(13(26)21-15)3-6(18-12)4-9(22)17-5-10(23)19-8(14(27)28)1-2-11(24)25/h3,8H,1-2,4-5H2,(H,17,22)(H,19,23)(H,24,25)(H,27,28)(H4,16,18,20,21,26)/t8-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0780	n/a	n/a	n/a	n/a	n/a	n/a
Hebei Medical University Curated by ChEMBL					Assay Description Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...				Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50277352 (CHEMBL4162649) Show SMILES Nc1nc2[nH]c(CC(=O)NCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C19H26N6O7/c20-19-24-16-11(17(30)25-19)8-10(22-16)9-14(27)21-7-3-1-2-4-13(26)23-12(18(31)32)5-6-15(28)29/h8,12H,1-7,9H2,(H,21,27)(H,23,26)(H,28,29)(H,31,32)(H4,20,22,24,25,30)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Hebei Medical University Curated by ChEMBL					Assay Description Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...				Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50277353 (CHEMBL4170578) Show SMILES Nc1nc2[nH]c(CC(=O)Nc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H20N6O7/c21-20-25-16-12(18(31)26-20)7-11(23-16)8-14(27)22-10-3-1-9(2-4-10)17(30)24-13(19(32)33)5-6-15(28)29/h1-4,7,13H,5-6,8H2,(H,22,27)(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Hebei Medical University Curated by ChEMBL					Assay Description Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...				Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hebei Medical University Curated by ChEMBL					Assay Description Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...				Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50277351 (CHEMBL4174018) Show SMILES Nc1nc2[nH]c(CC(=O)NCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C18H24N6O7/c19-18-23-15-10(16(29)24-18)7-9(21-15)8-13(26)20-6-2-1-3-12(25)22-11(17(30)31)4-5-14(27)28/h7,11H,1-6,8H2,(H,20,26)(H,22,25)(H,27,28)(H,30,31)(H4,19,21,23,24,29)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Hebei Medical University Curated by ChEMBL					Assay Description Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...				Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50027656 (CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...) Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Hebei Medical University Curated by ChEMBL					Assay Description Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...				Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50277357 (CHEMBL4163732) Show SMILES Nc1nc2[nH]c(CC(=O)NCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C16H20N6O7/c17-16-21-13-8(14(27)22-16)5-7(19-13)6-11(24)18-4-3-10(23)20-9(15(28)29)1-2-12(25)26/h5,9H,1-4,6H2,(H,18,24)(H,20,23)(H,25,26)(H,28,29)(H4,17,19,21,22,27)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Hebei Medical University Curated by ChEMBL					Assay Description Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...				Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F
					More data for this Ligand-Target Pair
Bifunctional purine biosynthesis protein ATIC/Thymidylate synthase/Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM50277354 (CHEMBL4166099) Show SMILES Nc1nc2[nH]c(CC(=O)NCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C17H22N6O7/c18-17-22-14-9(15(28)23-17)6-8(20-14)7-12(25)19-5-1-2-11(24)21-10(16(29)30)3-4-13(26)27/h6,10H,1-5,7H2,(H,19,25)(H,21,24)(H,26,27)(H,29,30)(H4,18,20,22,23,28)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Hebei Medical University Curated by ChEMBL					Assay Description Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of ...				Eur J Med Chem 139: 531-541 (2017) Article DOI: 10.1016/j.ejmech.2017.08.032 BindingDB Entry DOI: 10.7270/Q2WW7M6F
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604747 (CHEMBL5202197) Show SMILES Cl.CC(C)(C)NC(CO)c1cc(c(N)c(c1)S(=O)(=O)c1ccccc1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604748 (CHEMBL5194956) Show SMILES Cl.CC(C)(C)NC(CO)c1cc(F)c(N)c(c1)S(C)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604749 (CHEMBL5205995) Show SMILES Cl.CC(C)(C)NC(CO)c1cc(F)c(N)c(c1)S(=O)(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604750 (CHEMBL5183062) Show SMILES Cl.CC(C)(C)NC(CO)c1cc(F)c(N)c(Br)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604751 (CHEMBL5194651) Show SMILES Cl.CC(C)(C)NC(CO)c1cc(Br)c(N)c(c1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	853	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604752 (CHEMBL5201031) Show SMILES Cl.CC(C)(C)NC(CO)c1ccc(N)c(c1)[N+]([O-])=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604753 (CHEMBL5192613) Show SMILES Cl.CC(C)NC(CO)c1cc(Br)c(N)c(c1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604754 (CHEMBL5190852) Show SMILES Cl.Nc1c(Br)cc(cc1C(F)(F)F)C(CO)NC1CCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604755 (CHEMBL5197382) Show SMILES Cl.Nc1c(Br)cc(cc1C(F)(F)F)C(CO)NC1CCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604756 (CHEMBL5187056) Show SMILES Cl.CCOCCCNC(CO)c1cc(Br)c(N)c(c1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604757 (CHEMBL5190961) Show SMILES Cl.CCCCNC(CO)c1cc(Br)c(N)c(c1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604758 (CHEMBL5203966) Show SMILES Cl.CC(C)NC(CO)c1cc(F)c(N)c(Br)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	237	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604759 (CHEMBL5178340) Show SMILES Cl.CCCCNC(CO)c1cc(F)c(N)c(Br)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604761 (CHEMBL5200165) Show SMILES Cl.Nc1c(F)cc(cc1Br)C(CO)NC1CCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604762 (CHEMBL5180409) Show SMILES Cl.Nc1c(F)cc(cc1Br)C(CO)NC1CCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604763 (CHEMBL5205567) Show SMILES Cl.Nc1c(F)cc(cc1Br)C(CO)NCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604764 (CHEMBL5176681) Show SMILES Cl.COc1ccc(CNC(CO)c2cc(F)c(N)c(Br)c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604765 (CHEMBL5201243) Show SMILES Cl.Nc1c(F)cc(cc1Br)C(CO)NCc1ccc(F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	399	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604766 (CHEMBL5200823) Show SMILES Cl.Nc1c(Br)cc(cc1C#N)C(CO)NC1CCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	142	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604767 (CHEMBL5186459) Show SMILES Cl.Nc1c(Br)cc(cc1C#N)C(CO)NC1CCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.24E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604768 (CHEMBL5208931) Show SMILES Cl.CCOCCCNC(CO)c1cc(Br)c(N)c(c1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50604769 (CHEMBL5196966) Show SMILES Cl.CCCCNC(CO)c1cc(Br)c(N)c(c1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	99	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50569859 (CHEMBL4874511) Show SMILES CC(C)(C)NC(CO)c1cc(Cl)c(N)c(c1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604739 (CHEMBL5172759) Show SMILES Cl.Nc1c(Cl)cc(cc1C(F)(F)F)C(CO)NC1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604741 (CHEMBL5191729) Show SMILES Cl.CCOCCCNC(CO)c1cc(Cl)c(N)c(c1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604742 (CHEMBL5186069) Show SMILES Cl.CCCCNC(CO)c1cc(Cl)c(N)c(c1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604743 (CHEMBL5186002) Show SMILES Cl.CC(C)(Cc1ccccc1)NC(CO)c1cc(Cl)c(N)c(c1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604745 (CHEMBL5176025) Show SMILES Cl.CC(C)(C)NC(CO)c1cc(Br)c(N)c(c1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604750 (CHEMBL5183062) Show SMILES Cl.CC(C)(C)NC(CO)c1cc(F)c(N)c(Br)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604751 (CHEMBL5194651) Show SMILES Cl.CC(C)(C)NC(CO)c1cc(Br)c(N)c(c1)C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604754 (CHEMBL5190852) Show SMILES Cl.Nc1c(Br)cc(cc1C(F)(F)F)C(CO)NC1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604756 (CHEMBL5187056) Show SMILES Cl.CCOCCCNC(CO)c1cc(Br)c(N)c(c1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604757 (CHEMBL5190961) Show SMILES Cl.CCCCNC(CO)c1cc(Br)c(N)c(c1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604758 (CHEMBL5203966) Show SMILES Cl.CC(C)NC(CO)c1cc(F)c(N)c(Br)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604759 (CHEMBL5178340) Show SMILES Cl.CCCCNC(CO)c1cc(F)c(N)c(Br)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604760 (CHEMBL5195910) Show SMILES Cl.CCOCCCNC(CO)c1cc(F)c(N)c(Br)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604761 (CHEMBL5200165) Show SMILES Cl.Nc1c(F)cc(cc1Br)C(CO)NC1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50604765 (CHEMBL5201243) Show SMILES Cl.Nc1c(F)cc(cc1Br)C(CO)NCc1ccc(F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02006 BindingDB Entry DOI: 10.7270/Q2F47T7R
					More data for this Ligand-Target Pair

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