Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'o''donnell' and Initial = 'h'   

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
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585913 (CHEMBL5093295) Show SMILES Clc1ccc(CNC[C@H]2CCn3ccnc3C2)c2ncccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585914 (CHEMBL5079273) Show SMILES Clc1ccc(CNCCc2cccnc2)c2ncccc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585912 (CHEMBL5075486) Show SMILES Clc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)c2ncccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585909 (CHEMBL5089996) Show SMILES CN1CC[C@H](CNCc2ccc(Cl)c3cccnc23)CC1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585910 (CHEMBL5094012) Show SMILES Clc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)C2)c2ncccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585911 (CHEMBL5093969) Show SMILES Clc1ccc(CNCC[C@@H]2CCOC2)c2ncccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585918 (CHEMBL5078567) Show SMILES CN(C)S(=O)(=O)C1(CNCc2ccc(Cl)c3cccnc23)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585915 (CHEMBL5082151) Show SMILES CN(C)S(=O)(=O)CCNCc1ccc(Cl)c2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585919 (CHEMBL5090584) Show SMILES CN(C)S(=O)(=O)CCNCc1cccc2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585920 (CHEMBL5092524) Show SMILES CN(C)S(=O)(=O)CCNCc1ccc(F)c2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	271	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585916 (CHEMBL5085238) Show SMILES O=S1(=O)CC[C@@H](CNCc2cccc3cccnc23)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585917 (CHEMBL5091270) Show SMILES O=S1(=O)CCC[C@@H](CNCc2cccc3cccnc23)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	705	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50585908 (CHEMBL1181770 | SB-699551) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT1BR (unknown origin) assessed as inhibition constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50585908 (CHEMBL1181770 | SB-699551) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT1DR (unknown origin) assessed as inhibition constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50585908 (CHEMBL1181770 | SB-699551) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT1AR (unknown origin) assessed as inhibition constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50585908 (CHEMBL1181770 | SB-699551) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT2BR (unknown origin) assessed as inhibition constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50585908 (CHEMBL1181770 | SB-699551) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT2AR (unknown origin) assessed as inhibition constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50585908 (CHEMBL1181770 | SB-699551) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT3 (unknown origin) assessed as inhibition constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585908 (CHEMBL1181770 | SB-699551) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5-HT5AR				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50585908 (CHEMBL1181770 | SB-699551) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5-HT2CR (unknown origin) assessed as inhibition constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585922 (CHEMBL5079940) Show SMILES CCS(=O)(=O)CCCNCc1ccc(Cl)c2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585901 (CHEMBL3459329) Show SMILES Clc1ccc(CNCCCC(=O)NC2CC2)c2ncccc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585901 (CHEMBL3459329) Show SMILES Clc1ccc(CNCCCC(=O)NC2CC2)c2ncccc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585905 (CHEMBL5087322) Show SMILES CN(C)c1nc(NCc2ccccc2-n2ccnc2)ncc1C Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585905 (CHEMBL5087322) Show SMILES CN(C)c1nc(NCc2ccccc2-n2ccnc2)ncc1C Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585903 (CHEMBL5074821) Show SMILES C[C@@H](Cn1cc(C)cn1)NCc1cccc(OCc2ccccn2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585903 (CHEMBL5074821) Show SMILES C[C@@H](Cn1cc(C)cn1)NCc1cccc(OCc2ccccn2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585902 (CHEMBL5092728) Show SMILES CC(C)(C)c1ccc2CCN(C[C@@H](O)COC3CCOCC3)Cc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585902 (CHEMBL5092728) Show SMILES CC(C)(C)c1ccc2CCN(C[C@@H](O)COC3CCOCC3)Cc2c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585904 (CHEMBL5093652) Show SMILES N#CC1(CCC(CC1)NCCc1nnc2ccccn12)c1ccccc1 |(4.01,-5.17,;3.61,-3.68,;3.21,-2.19,;2.81,-.7,;1.32,-.3,;.24,-1.39,;.63,-2.88,;2.12,-3.28,;-1.25,-.99,;-1.65,.49,;-3.14,.89,;-3.54,2.38,;-2.63,3.62,;-3.54,4.87,;-5,4.39,;-6.33,5.17,;-7.67,4.39,;-7.67,2.85,;-6.33,2.08,;-5,2.85,;4.7,-2.59,;5.79,-1.5,;7.27,-1.9,;7.67,-3.39,;6.59,-4.47,;5.1,-4.08,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585904 (CHEMBL5093652) Show SMILES N#CC1(CCC(CC1)NCCc1nnc2ccccn12)c1ccccc1 |(4.01,-5.17,;3.61,-3.68,;3.21,-2.19,;2.81,-.7,;1.32,-.3,;.24,-1.39,;.63,-2.88,;2.12,-3.28,;-1.25,-.99,;-1.65,.49,;-3.14,.89,;-3.54,2.38,;-2.63,3.62,;-3.54,4.87,;-5,4.39,;-6.33,5.17,;-7.67,4.39,;-7.67,2.85,;-6.33,2.08,;-5,2.85,;4.7,-2.59,;5.79,-1.5,;7.27,-1.9,;7.67,-3.39,;6.59,-4.47,;5.1,-4.08,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM32188 (CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788) Show SMILES Oc1c(I)cc(Cl)c2cccnc12 Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SARS-COV2 ACE2 binding to spike glycoprotein S RBD domain preincubated for 31 mins with RBD followed by protein addition measured after...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01547 BindingDB Entry DOI: 10.7270/Q25H7M47
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SARS-COV2 His-tagged S-RBD binding to recombinant human ACE2 expressed in HEK293T cells incubated for 0.5 hrs by alpha scre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01547 BindingDB Entry DOI: 10.7270/Q25H7M47
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM152157 (US8987474, Hematin) Show SMILES OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O |c:3,21,t:1| Show InChI InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SARS-COV2 His-tagged S-RBD binding to recombinant human ACE2 expressed in HEK293T cells incubated for 0.5 hrs by alpha scre...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01547 BindingDB Entry DOI: 10.7270/Q25H7M47
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50416875 (AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...) Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE2 using MCA-Tyr-Val-Ala-Asp-Ala-Pro-Lys(DNP)-OH as substrate preincubated for 15 mins followed by substrate additi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01547 BindingDB Entry DOI: 10.7270/Q25H7M47
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585909 (CHEMBL5089996) Show SMILES CN1CC[C@H](CNCc2ccc(Cl)c3cccnc23)CC1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.57E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585913 (CHEMBL5093295) Show SMILES Clc1ccc(CNC[C@H]2CCn3ccnc3C2)c2ncccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.57E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585911 (CHEMBL5093969) Show SMILES Clc1ccc(CNCC[C@@H]2CCOC2)c2ncccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.68E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585917 (CHEMBL5091270) Show SMILES O=S1(=O)CCC[C@@H](CNCc2cccc3cccnc23)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.68E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585916 (CHEMBL5085238) Show SMILES O=S1(=O)CC[C@@H](CNCc2cccc3cccnc23)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.79E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585914 (CHEMBL5079273) Show SMILES Clc1ccc(CNCCc2cccnc2)c2ncccc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.79E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585915 (CHEMBL5082151) Show SMILES CN(C)S(=O)(=O)CCNCc1ccc(Cl)c2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.79E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585906 (CHEMBL5077128) Show SMILES CS(=O)(=O)C1(CNCc2cccc3cccnc23)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.79E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585919 (CHEMBL5090584) Show SMILES CN(C)S(=O)(=O)CCNCc1cccc2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.79E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585910 (CHEMBL5094012) Show SMILES Clc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)C2)c2ncccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585918 (CHEMBL5078567) Show SMILES CN(C)S(=O)(=O)C1(CNCc2ccc(Cl)c3cccnc23)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585920 (CHEMBL5092524) Show SMILES CN(C)S(=O)(=O)CCNCc1ccc(F)c2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.13E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585912 (CHEMBL5075486) Show SMILES Clc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)c2ncccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.13E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585921 (CHEMBL5087602) Show SMILES CS(=O)(=O)C1(CNCc2ccc(Br)c3cccnc23)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.13E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50585907 (CHEMBL5082447) Show SMILES CS(=O)(=O)C1(CNCc2ccc(Cl)c3cccnc23)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.25E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02031 BindingDB Entry DOI: 10.7270/Q2G73JM6
					More data for this Ligand-Target Pair

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