Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'mieczkowski' and Initial = 'a'   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50573588 (CHEMBL4871554) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50573589 (CHEMBL4864883) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)nc(Cl)nc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50573587 (CHEMBL4861092) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to SERT (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H1 receptor (Homo sapiens (Human))	BDBM50101814 (Dibenzepin) Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50101814 (Dibenzepin) Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to SERT (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50452336 (CHEMBL2113406) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C20H25N5O4/c26-10-14-16(27)17(28)20(29-14)25-12-24-15-18(22-11-23-19(15)25)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,26-28H,4-5,8-10H2,(H,21,22,23)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50205709 ((2R,3R,4S,5R)-2-(6-amino-2-(phenylethynyl)-9H-puri...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 Show InChI InChI=1S/C18H17N5O4/c19-16-13-17(22-12(21-16)7-6-10-4-2-1-3-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h1-5,9,11,14-15,18,24-26H,8H2,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50452335 (CHEMBL2113484) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50452335 (CHEMBL2113484) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane incubated for 60 mins by microplate beta scintillation countin...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546546 (CHEMBL4746800) Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546546 (CHEMBL4746800) Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546551 (CHEMBL4744893) Show SMILES CN(C)CCN1c2ccccc2CCc2ccccc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546551 (CHEMBL4744893) Show SMILES CN(C)CCN1c2ccccc2CCc2ccccc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546547 (CHEMBL4756446) Show SMILES CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546547 (CHEMBL4756446) Show SMILES CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50205709 ((2R,3R,4S,5R)-2-(6-amino-2-(phenylethynyl)-9H-puri...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 Show InChI InChI=1S/C18H17N5O4/c19-16-13-17(22-12(21-16)7-6-10-4-2-1-3-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h1-5,9,11,14-15,18,24-26H,8H2,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane incubated for 60 mins by microplate beta scintillation countin...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50573587 (CHEMBL4861092) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	803	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane incubated for 60 mins by microplate beta scintillation countin...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546552 (CHEMBL4756695) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546552 (CHEMBL4756695) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50366687 (CHEMBL3350497 | CHEMBL611516) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C18H17N5O4/c19-16-13-17(21-9-20-16)23(18-15(26)14(25)11(8-24)27-18)12(22-13)7-6-10-4-2-1-3-5-10/h1-5,9,11,14-15,18,24-26H,8H2,(H2,19,20,21)/t11-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	856	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50452336 (CHEMBL2113406) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C20H25N5O4/c26-10-14-16(27)17(28)20(29-14)25-12-24-15-18(22-11-23-19(15)25)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,26-28H,4-5,8-10H2,(H,21,22,23)/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	864	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane incubated for 60 mins by microplate beta scintillation countin...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50573591 (CHEMBL4847237) Show SMILES Nc1ncnc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(nc12)C#Cc1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	879	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50205709 ((2R,3R,4S,5R)-2-(6-amino-2-(phenylethynyl)-9H-puri...) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1 Show InChI InChI=1S/C18H17N5O4/c19-16-13-17(22-12(21-16)7-6-10-4-2-1-3-5-10)23(9-20-13)18-15(26)14(25)11(8-24)27-18/h1-5,9,11,14-15,18,24-26H,8H2,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cell membrane incubated for 30 mins by microplate beta scintillation...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50573593 (CHEMBL4855141) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)C#Cc1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50573588 (CHEMBL4871554) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK cell membrane incubated for 30 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50573592 (CHEMBL4852007) Show SMILES Nc1nc(CCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane incubated for 60 mins by microplate beta scintillation countin...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50573591 (CHEMBL4847237) Show SMILES Nc1ncnc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(nc12)C#Cc1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cell membrane incubated for 30 mins by microplate beta scintillation...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50452335 (CHEMBL2113484) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cell membrane incubated for 30 mins by microplate beta scintillation...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50101814 (Dibenzepin) Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5HT1A receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50101814 (Dibenzepin) Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5HT1A receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50101814 (Dibenzepin) Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5HT6 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50101814 (Dibenzepin) Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5HT6 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50573587 (CHEMBL4861092) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK cell membrane incubated for 30 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50573589 (CHEMBL4864883) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)nc(Cl)nc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane incubated for 60 mins by microplate beta scintillation countin...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50546546 (CHEMBL4746800) Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to SERT (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50546546 (CHEMBL4746800) Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to SERT (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546550 (CHEMBL4796968) Show SMILES CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546555 (CHEMBL4751842) Show SMILES CN(C)CCN1c2cc3ccccc3cc2C(=O)N(C)c2ccc(Cl)cc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546555 (CHEMBL4751842) Show SMILES CN(C)CCN1c2cc3ccccc3cc2C(=O)N(C)c2ccc(Cl)cc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50546550 (CHEMBL4796968) Show SMILES CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to H1 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50573587 (CHEMBL4861092) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cell membrane incubated for 30 mins by microplate beta scintillation...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50101814 (Dibenzepin) Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50101814 (Dibenzepin) Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50546550 (CHEMBL4796968) Show SMILES CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to D2 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50546550 (CHEMBL4796968) Show SMILES CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to D2 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127493 BindingDB Entry DOI: 10.7270/Q2DJ5K7X
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50573592 (CHEMBL4852007) Show SMILES Nc1nc(CCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation cou...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113607 BindingDB Entry DOI: 10.7270/Q2JD51KN
					More data for this Ligand-Target Pair

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