Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'leth-petersen' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		16.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		305	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		623	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		663	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		762	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens)	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
Adenosine receptor A1 Isoform 2 (Homo sapiens (Human))	BDBM50081701 (3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...) Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12 Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
Adenosine receptor A1 Isoform 2 (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM601697 (US11642336, Compound 8) Show SMILES COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2S46WX8
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM31592 (PF-2545920 | US9138494, MP-10 | substituted pyraz...) Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1 Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50096246 (CHEMBL2419369) Show SMILES CN(C(=O)c1cc(n[nH]1)-c1ccccn1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C34H48BrN5O6/c1-5-21(3)30-34(45)39-17-11-10-14-29(39)33(44)36-26(13-9-7-8-12-24(41)6-2)31(42)37-27(32(43)38-30)18-22-20-40(46-4)28-16-15-23(35)19-25(22)28/h15-16,19-21,26-27,29-30H,5-14,17-18H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t21?,26-,27-,29+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50493174 (CHEMBL2419368) Show SMILES CN(C(=O)c1cc(n[nH]1)-c1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C26H21N5O2/c1-31(26(32)25-15-24(29-30-25)19-6-4-14-27-16-19)21-10-12-22(13-11-21)33-17-20-9-8-18-5-2-3-7-23(18)28-20/h2-16H,17H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50493158 (CHEMBL2419555) Show SMILES CN(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc2ncsc2c1 Show InChI InChI=1S/C25H19N3O2S/c1-28(20-10-13-23-24(14-20)31-16-26-23)25(29)18-7-11-21(12-8-18)30-15-19-9-6-17-4-2-3-5-22(17)27-19/h2-14,16H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50096247 (CHEMBL2419366) Show SMILES CN(C(=O)c1cc(n[nH]1)-c1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C33H47N5O5/c1-4-21(3)29-33(43)38-18-12-11-17-28(38)32(42)35-26(16-8-6-7-13-23(39)5-2)30(40)36-27(31(41)37-29)19-22-20-34-25-15-10-9-14-24(22)25/h9-10,14-15,20-21,26-29,34H,4-8,11-13,16-19H2,1-3H3,(H,35,42)(H,36,40)(H,37,41)/t21?,26-,27-,28+,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50096248 (CHEMBL2419561) Show SMILES CN(C(=O)c1ccc2ncsc2c1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C42H54N6O5/c1-5-26(3)37-42(53)48-22-13-12-18-36(48)41(52)44-33(17-9-7-8-14-29(49)6-2)39(50)45-34(40(51)46-37)25-31-30-15-10-11-16-32(30)43-38(31)28-19-20-35-27(24-28)21-23-47(35)4/h10-11,15-16,19-21,23-24,26,33-34,36-37,43H,5-9,12-14,17-18,22,25H2,1-4H3,(H,44,52)(H,45,50)(H,46,51)/t26?,33-,34-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50319165 (2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrid...) Show SMILES CCCc1nc(C)c2c(C)nc3ccc(OC)nc3n12 Show InChI InChI=1S/C15H18N4O/c1-5-6-12-17-10(3)14-9(2)16-11-7-8-13(20-4)18-15(11)19(12)14/h7-8H,5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50493173 (CHEMBL2419548) Show SMILES CN(C(=O)c1ccc2ncsc2c1)c1ccc(OCc2nc3ccccc3n2C)cc1 Show InChI InChI=1S/C24H20N4O2S/c1-27(24(29)16-7-12-20-22(13-16)31-15-25-20)17-8-10-18(11-9-17)30-14-23-26-19-5-3-4-6-21(19)28(23)2/h3-13,15H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM14768 ((R)-6,7-Dimethoxy-4-[3-(quinoxalin-2-yloxy)-pyrrol...) Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3cnc4ccccc4n3)c2cc1OC |r| Show InChI InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50493164 (CHEMBL2419365) Show SMILES CN(C(=O)c1cnc(s1)-c1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C26H20N4O2S/c1-30(26(31)24-16-28-25(33-24)19-6-4-14-27-15-19)21-10-12-22(13-11-21)32-17-20-9-8-18-5-2-3-7-23(18)29-20/h2-16H,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50493175 (CHEMBL2419364) Show SMILES CN(C(=O)c1cnc(s1)-c1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C26H20N4O2S/c1-30(26(31)24-16-28-25(33-24)19-12-14-27-15-13-19)21-8-10-22(11-9-21)32-17-20-7-6-18-4-2-3-5-23(18)29-20/h2-16H,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50493159 (CHEMBL2419554) Show SMILES CN(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc2ncoc2c1 Show InChI InChI=1S/C25H19N3O3/c1-28(20-10-13-23-24(14-20)31-16-26-23)25(29)18-7-11-21(12-8-18)30-15-19-9-6-17-4-2-3-5-22(17)27-19/h2-14,16H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem 21: 6053-62 (2013) Article DOI: 10.1016/j.bmc.2013.07.030 BindingDB Entry DOI: 10.7270/Q27P929Z
					More data for this Ligand-Target Pair

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