Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'wunder' and Initial = 'f'   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312960 (3-[1-(2,3-Difluoro-4-methylbenzyl)-5-fluoro-6-meth...) Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3cc(F)c(C)nc23)c(F)c1F Show InChI InChI=1S/C22H18F3N7O/c1-9-5-6-11(15(25)14(9)24)8-32-20-12(7-13(23)10(2)26-20)16(31-32)18-27-19-17(29-30-18)22(3,4)21(33)28-19/h5-7H,8H2,1-4H3,(H,27,28,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312961 (3-[1-(2,3-Difluoro-4-methylbenzyl)-6-methyl-1H-pyr...) Show SMILES Cc1ccc2c(nn(Cc3ccc(C)c(F)c3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1 Show InChI InChI=1S/C22H19F2N7O/c1-10-5-7-12(15(24)14(10)23)9-31-20-13(8-6-11(2)25-20)16(30-31)18-26-19-17(28-29-18)22(3,4)21(32)27-19/h5-8H,9H2,1-4H3,(H,26,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312944 (3-[5-Fluoro-1-(2-fluoro-4-methylbenzyl)-6-methyl-1...) Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3cc(F)c(C)nc23)c(F)c1 Show InChI InChI=1S/C22H19F2N7O/c1-10-5-6-12(15(24)7-10)9-31-20-13(8-14(23)11(2)25-20)16(30-31)18-26-19-17(28-29-18)22(3,4)21(32)27-19/h5-8H,9H2,1-4H3,(H,26,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312945 (3-[1-(2-Fluoro-4-methylbenzyl)-6-methyl-1H-pyrazol...) Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3ccc(C)nc23)c(F)c1 Show InChI InChI=1S/C22H20FN7O/c1-11-5-7-13(15(23)9-11)10-30-20-14(8-6-12(2)24-20)16(29-30)18-25-19-17(27-28-18)22(3,4)21(31)26-19/h5-9H,10H2,1-4H3,(H,25,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50602405 (CHEMBL5205373) Show SMILES CCCC1CN(CC(=O)N2CCc3ccccc23)Cc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01267 BindingDB Entry DOI: 10.7270/Q20P143W
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312965 (3′-[1-(2,3-Difluoro-4-methylbenzyl)-6-methyl...) Show SMILES Cc1ccc2c(nn(Cc3ccc(C)c(F)c3F)c2n1)-c1nnc2c(NC(=O)C22CC2)n1 Show InChI InChI=1S/C22H17F2N7O/c1-10-3-5-12(15(24)14(10)23)9-31-20-13(6-4-11(2)25-20)16(30-31)18-26-19-17(28-29-18)22(7-8-22)21(32)27-19/h3-6H,7-9H2,1-2H3,(H,26,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317598 (US9624199, 8 | {6-[(2,6-Difluorobenzyl)(methyl)ami...) Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(nc1)N(C)Cc1c(F)cccc1F |r| Show InChI InChI=1S/C25H32F2N4O/c1-18-5-4-12-31(16-18)20-10-13-30(14-11-20)25(32)19-8-9-24(28-15-19)29(2)17-21-22(26)6-3-7-23(21)27/h3,6-9,15,18,20H,4-5,10-14,16-17H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312950 (3-[1-(4-Chloro-2-fluorobenzyl)-6-methyl-1H-pyrazol...) Show SMILES Cc1ccc2c(nn(Cc3ccc(Cl)cc3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1 Show InChI InChI=1S/C21H17ClFN7O/c1-10-4-7-13-15(17-25-18-16(27-28-17)21(2,3)20(31)26-18)29-30(19(13)24-10)9-11-5-6-12(22)8-14(11)23/h4-8H,9H2,1-3H3,(H,25,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM398510 ((rac)-{2-[(1-Methoxybutan-2-yl)amino]pyrimidin-5-y...) Show SMILES CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccc(OC)cc2C1 Show InChI InChI=1S/C25H35N5O3/c1-4-21(17-32-2)28-25-26-14-20(15-27-25)24(31)29-11-8-22(9-12-29)30-10-7-18-5-6-23(33-3)13-19(18)16-30/h5-6,13-15,21-22H,4,7-12,16-17H2,1-3H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2PN9803
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312942 (Sodium 3-[1-(2,3-difluorobenzyl)-5-fluoro-6-methyl...) Show SMILES Cc1nc2n(Cc3cccc(F)c3F)nc(-c3nnc4c([N-]C(=O)C4(C)C)n3)c2cc1F Show InChI InChI=1S/C21H16F3N7O/c1-9-13(23)7-11-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(11)25-9)8-10-5-4-6-12(22)14(10)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312933 ( 3-[1-(2,3-Difluorobenzyl)-5-fluoro-6-methyl-1H-py...) Show SMILES Cc1nc2n(Cc3cccc(F)c3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F Show InChI InChI=1S/C21H16F3N7O/c1-9-13(23)7-11-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(11)25-9)8-10-5-4-6-12(22)14(10)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312948 (3-[1-(4-Chloro-2-fluorobenzyl)-5-fluoro-6-methyl-1...) Show SMILES Cc1nc2n(Cc3ccc(Cl)cc3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F Show InChI InChI=1S/C21H16ClF2N7O/c1-9-13(23)7-12-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(12)25-9)8-10-4-5-11(22)6-14(10)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50602402 (CHEMBL5181099) Show SMILES OC(=O)C(F)(F)F.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(COC2)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01267 BindingDB Entry DOI: 10.7270/Q20P143W
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312958 (3-[5-Fluoro-1-(3-fluoro-4-methylbenzyl)-6-methyl-1...) Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3cc(F)c(C)nc23)cc1F Show InChI InChI=1S/C22H19F2N7O/c1-10-5-6-12(7-14(10)23)9-31-20-13(8-15(24)11(2)25-20)16(30-31)18-26-19-17(28-29-18)22(3,4)21(32)27-19/h5-8H,9H2,1-4H3,(H,26,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317578 (US9624198, 3 | [4-(3,4-Dihydroisoquinolin-2(1H)-yl...) Show SMILES O=C(N1CCC(CC1)N1CCc2ccccc2C1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C24H30N4O2/c29-24(20-5-6-23(25-17-20)26-13-15-30-16-14-26)27-11-8-22(9-12-27)28-10-7-19-3-1-2-4-21(19)18-28/h1-6,17,22H,7-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				US Patent US9624198 (2017) BindingDB Entry DOI: 10.7270/Q2377BS2
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50602376 (CHEMBL5189429) Show SMILES CCCC1CCCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01267 BindingDB Entry DOI: 10.7270/Q20P143W
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312959 (3-[1-(3-Fluoro-4-methylbenzyl)-6-methyl-1H-pyrazol...) Show SMILES Cc1ccc2c(nn(Cc3ccc(C)c(F)c3)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1 Show InChI InChI=1S/C22H20FN7O/c1-11-5-7-13(9-15(11)23)10-30-20-14(8-6-12(2)24-20)16(29-30)18-25-19-17(27-28-18)22(3,4)21(31)26-19/h5-9H,10H2,1-4H3,(H,25,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50602384 (CHEMBL5181101) Show SMILES CCCC1CNCc2c1n(C)c(=O)c(C#N)c2-c1ccc(C)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01267 BindingDB Entry DOI: 10.7270/Q20P143W
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317593 (US9624199, 3 | {6-[(2R)-2-(Methoxymethyl)pyrrolidi...) Show SMILES COC[C@H]1CCCN1c1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r| Show InChI InChI=1S/C23H36N4O2/c1-18-5-3-11-26(16-18)20-9-13-25(14-10-20)23(28)19-7-8-22(24-15-19)27-12-4-6-21(27)17-29-2/h7-8,15,18,20-21H,3-6,9-14,16-17H2,1-2H3/t18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317586 (US9624198, 11 | US9624198, 12 | [4-(3,4-Dihydroiso...) Show SMILES CC1CN(CC(C)O1)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1 Show InChI InChI=1S/C26H34N4O2/c1-19-16-30(17-20(2)32-19)25-8-7-22(15-27-25)26(31)28-13-10-24(11-14-28)29-12-9-21-5-3-4-6-23(21)18-29/h3-8,15,19-20,24H,9-14,16-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				US Patent US9624198 (2017) BindingDB Entry DOI: 10.7270/Q2377BS2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317585 (US9624198, 10 | [4-(3,4-Dihydroisoquinolin-2(1H)-y...) Show SMILES O=C(N1CCC(CC1)N1CCc2ccccc2C1)c1ccc(nc1)N1CC2(COC2)C1 Show InChI InChI=1S/C25H30N4O2/c30-24(20-5-6-23(26-13-20)29-15-25(16-29)17-31-18-25)27-11-8-22(9-12-27)28-10-7-19-3-1-2-4-21(19)14-28/h1-6,13,22H,7-12,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				US Patent US9624198 (2017) BindingDB Entry DOI: 10.7270/Q2377BS2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317584 (US9624198, 9 | [4-(6-Methoxy-3,4-dihydroisoquinoli...) Show SMILES COC1CCN(C1)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCc2cc(OC)ccc2C1 Show InChI InChI=1S/C26H34N4O3/c1-32-23-5-3-21-17-29(11-7-19(21)15-23)22-8-12-28(13-9-22)26(31)20-4-6-25(27-16-20)30-14-10-24(18-30)33-2/h3-6,15-16,22,24H,7-14,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				US Patent US9624198 (2017) BindingDB Entry DOI: 10.7270/Q2377BS2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317603 (US9624199, 13 | [6-(3-Methoxypyrrolidin-1-yl)pyrid...) Show SMILES COC1CCN(C1)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r| Show InChI InChI=1S/C22H34N4O2/c1-17-4-3-10-25(15-17)19-7-11-24(12-8-19)22(27)18-5-6-21(23-14-18)26-13-9-20(16-26)28-2/h5-6,14,17,19-20H,3-4,7-13,15-16H2,1-2H3/t17-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50602385 (CHEMBL5174546) Show SMILES CCCC1CCCc2c(nc(=O)[nH]c12)-c1ccc(C)cc1 Show InChI	PDB MMDB 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01267 BindingDB Entry DOI: 10.7270/Q20P143W
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50602401 (CHEMBL5186852) Show SMILES Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CCC2)CC1 Show InChI	PDB MMDB 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01267 BindingDB Entry DOI: 10.7270/Q20P143W
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317577 (US9624198, 2 | [4-(7-Fluoro-3,4-dihydroisoquinolin...) Show SMILES COCCNc1ccc(cn1)C(=O)N1CCC(CC1)N1CCc2ccc(F)cc2C1 Show InChI InChI=1S/C23H29FN4O2/c1-30-13-9-25-22-5-3-18(15-26-22)23(29)27-11-7-21(8-12-27)28-10-6-17-2-4-20(24)14-19(17)16-28/h2-5,14-15,21H,6-13,16H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				US Patent US9624198 (2017) BindingDB Entry DOI: 10.7270/Q2377BS2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317597 (US9624199, 7 | [3-(Cyclopropylmethoxy)-1,4′-...) Show SMILES O=C(N1CCC(CC1)N1CCCC(C1)OCC1CC1)c1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C24H36N4O3/c29-24(20-5-6-23(25-16-20)26-12-14-30-15-13-26)27-10-7-21(8-11-27)28-9-1-2-22(17-28)31-18-19-3-4-19/h5-6,16,19,21-22H,1-4,7-15,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50602404 (CHEMBL5207692) Show SMILES Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CCOC2)CC1 Show InChI	PDB MMDB 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01267 BindingDB Entry DOI: 10.7270/Q20P143W
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317607 (US9624199, 17 | [3-(Cyclopropylmethoxy)-1,4′...) Show SMILES O=C(N1CCC(CC1)N1CCCC(C1)OCC1CC1)c1cnc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H35N5O3/c29-22(19-14-24-23(25-15-19)27-10-12-30-13-11-27)26-8-5-20(6-9-26)28-7-1-2-21(16-28)31-17-18-3-4-18/h14-15,18,20-21H,1-13,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50602398 (CHEMBL5198935) Show SMILES Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CC2)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01267 BindingDB Entry DOI: 10.7270/Q20P143W
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM258417 (US9505786, 61) Show SMILES CC1(C)C(=O)Nc2nc(nc(CC(N)=O)c12)-c1nn(Cc2ccccc2F)c2ncccc12 Show InChI InChI=1S/C23H20FN7O2/c1-23(2)17-15(10-16(25)32)27-20(28-19(17)29-22(23)33)18-13-7-5-9-26-21(13)31(30-18)11-12-6-3-4-8-14(12)24/h3-9H,10-11H2,1-2H3,(H2,25,32)(H,27,28,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	25
BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9505786 (2016) BindingDB Entry DOI: 10.7270/Q2WS8S6V
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM258372 (US9505786, 10) Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C4(C)C)n3)c3cc(F)cnc23)c(F)c1 Show InChI InChI=1S/C21H17F2N7O/c1-10-4-5-11(14(23)6-10)9-30-19-13(7-12(22)8-24-19)15(29-30)17-25-18-16(27-28-17)21(2,3)20(31)26-18/h4-8H,9H2,1-3H3,(H,25,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	25
BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9505786 (2016) BindingDB Entry DOI: 10.7270/Q2WS8S6V
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM398515 (US10323020, Example 9 | [4-(7-Fluoro-3,4-dihydrois...) Show SMILES Fc1ccc2CCN(Cc2c1)C1CCN(CC1)C(=O)c1cnc(nc1)N1CC2(COC2)C1 Show InChI InChI=1S/C24H28FN5O2/c25-20-2-1-17-3-6-29(12-18(17)9-20)21-4-7-28(8-5-21)22(31)19-10-26-23(27-11-19)30-13-24(14-30)15-32-16-24/h1-2,9-11,21H,3-8,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2PN9803
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317604 (US9624199, 14 | {6-[(1-Methoxybutan-2-yl)amino]pyr...) Show SMILES CCC(COC)Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r| Show InChI InChI=1S/C22H36N4O2/c1-4-19(16-28-3)24-21-8-7-18(14-23-21)22(27)25-12-9-20(10-13-25)26-11-5-6-17(2)15-26/h7-8,14,17,19-20H,4-6,9-13,15-16H2,1-3H3,(H,23,24)/t17-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312962 (3′-[1-(2-Fluoro-4-methylbenzyl)-6-methyl-1H-...) Show SMILES Cc1ccc(Cn2nc(-c3nnc4c(NC(=O)C44CC4)n3)c3ccc(C)nc23)c(F)c1 Show InChI InChI=1S/C22H18FN7O/c1-11-3-5-13(15(23)9-11)10-30-20-14(6-4-12(2)24-20)16(29-30)18-25-19-17(27-28-18)22(7-8-22)21(31)26-19/h3-6,9H,7-8,10H2,1-2H3,(H,25,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM157148 (US9023849, 18) Show SMILES Cc1ncc2c(nn(Cc3cccc(F)c3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1 Show InChI InChI=1S/C20H16F2N8O/c1-9-23-7-11-14(16-25-17-15(27-28-16)20(2,3)19(31)26-17)29-30(18(11)24-9)8-10-5-4-6-12(21)13(10)22/h4-7H,8H2,1-3H3,(H,25,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9023849 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W3Q
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317595 (US9624199, 5 | [6-(4,4-Difluoropiperidin-1-yl)pyri...) Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(nc1)N1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C22H32F2N4O/c1-17-3-2-10-28(16-17)19-6-11-27(12-7-19)21(29)18-4-5-20(25-15-18)26-13-8-22(23,24)9-14-26/h4-5,15,17,19H,2-3,6-14,16H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317600 ((6-{[(2 S)-1-Hydroxybutan-2-yl]amino}pyridin-3-yl)...) Show SMILES CC[C@@H](CO)Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r| Show InChI InChI=1S/C21H34N4O2/c1-3-18(15-26)23-20-7-6-17(13-22-20)21(27)24-11-8-19(9-12-24)25-10-4-5-16(2)14-25/h6-7,13,16,18-19,26H,3-5,8-12,14-15H2,1-2H3,(H,22,23)/t16-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317609 (US9624199, 19 | [2-(4,4-Difluoropiperidin-1-yl)pyr...) Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1cnc(nc1)N1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C21H31F2N5O/c1-16-3-2-8-28(15-16)18-4-9-26(10-5-18)19(29)17-13-24-20(25-14-17)27-11-6-21(22,23)7-12-27/h13-14,16,18H,2-12,15H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50602383 (CHEMBL5200395) Show SMILES Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2-c1ccc(C)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01267 BindingDB Entry DOI: 10.7270/Q20P143W
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM398511 ((rac)-{2-[(1-Methoxybutan-2-yl)amino]pyrimidin-5-y...) Show SMILES CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2cc(OC)ccc2C1 Show InChI InChI=1S/C25H35N5O3/c1-4-21(17-32-2)28-25-26-14-20(15-27-25)24(31)29-11-8-22(9-12-29)30-10-7-18-13-23(33-3)6-5-19(18)16-30/h5-6,13-15,21-22H,4,7-12,16-17H2,1-3H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2PN9803
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312946 (3-[1-(2,4-Difluorobenzyl)-5-fluoro-6-methyl-1H-pyr...) Show SMILES Cc1nc2n(Cc3ccc(F)cc3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F Show InChI InChI=1S/C21H16F3N7O/c1-9-13(23)7-12-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(12)25-9)8-10-4-5-11(22)6-14(10)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312952 (7,7-Dimethyl-3-[6-methyl-1-(2,3,6-trifluorobenzyl)...) Show SMILES Cc1ccc2c(nn(Cc3c(F)ccc(F)c3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1 Show InChI InChI=1S/C21H16F3N7O/c1-9-4-5-10-15(17-26-18-16(28-29-17)21(2,3)20(32)27-18)30-31(19(10)25-9)8-11-12(22)6-7-13(23)14(11)24/h4-7H,8H2,1-3H3,(H,26,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317586 (US9624198, 11 | US9624198, 12 | [4-(3,4-Dihydroiso...) Show SMILES CC1CN(CC(C)O1)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1 Show InChI InChI=1S/C26H34N4O2/c1-19-16-30(17-20(2)32-19)25-8-7-22(15-27-25)26(31)28-13-10-24(11-14-28)29-12-9-21-5-3-4-6-23(21)18-29/h3-8,15,19-20,24H,9-14,16-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				US Patent US9624198 (2017) BindingDB Entry DOI: 10.7270/Q2377BS2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317602 (2-[(5-{[(3R)-3-Methyl-1,4′-bipiperidin-1R...) Show SMILES CCC(COC(N)=O)Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r| Show InChI InChI=1S/C22H35N5O3/c1-3-18(15-30-22(23)29)25-20-7-6-17(13-24-20)21(28)26-11-8-19(9-12-26)27-10-4-5-16(2)14-27/h6-7,13,16,18-19H,3-5,8-12,14-15H2,1-2H3,(H2,23,29)(H,24,25)/t16-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317582 (US9624198, 7 | [4-(3,4-Dihydroisoquinolin-2(1H)-yl...) Show SMILES CC[C@@H](CO)Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C24H32N4O2/c1-2-21(17-29)26-23-8-7-19(15-25-23)24(30)27-13-10-22(11-14-27)28-12-9-18-5-3-4-6-20(18)16-28/h3-8,15,21-22,29H,2,9-14,16-17H2,1H3,(H,25,26)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				US Patent US9624198 (2017) BindingDB Entry DOI: 10.7270/Q2377BS2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM312963 (3′-[1-(2,3-Difluorobenzyl)-6-methyl-1H-pyraz...) Show SMILES Cc1ccc2c(nn(Cc3cccc(F)c3F)c2n1)-c1nnc2c(NC(=O)C22CC2)n1 Show InChI InChI=1S/C21H15F2N7O/c1-10-5-6-12-15(17-25-18-16(27-28-17)21(7-8-21)20(31)26-18)29-30(19(12)24-10)9-11-3-2-4-13(22)14(11)23/h2-6H,7-9H2,1H3,(H,25,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9605008 (2017) BindingDB Entry DOI: 10.7270/Q2DZ0BC2
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317576 ( [4-(3,4-Dihydroisoquinolin-2-(1H)-yl)piperidin-1-...) Show SMILES COCCNc1ccc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1 Show InChI InChI=1S/C23H30N4O2/c1-29-15-11-24-22-7-6-19(16-25-22)23(28)26-13-9-21(10-14-26)27-12-8-18-4-2-3-5-20(18)17-27/h2-7,16,21H,8-15,17H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				US Patent US9624198 (2017) BindingDB Entry DOI: 10.7270/Q2377BS2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM258383 (US9505786, 21) Show SMILES Cc1nc2n(Cc3ccccc3F)nc(-c3nnc4c(NC(=O)C4(C)C)n3)c2cc1F Show InChI InChI=1S/C21H17F2N7O/c1-10-14(23)8-12-15(17-25-18-16(27-28-17)21(2,3)20(31)26-18)29-30(19(12)24-10)9-11-6-4-5-7-13(11)22/h4-8H,9H2,1-3H3,(H,25,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	25
BAYER PHARMA AKTIENGESELLSCHAFT; BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...				US Patent US9505786 (2016) BindingDB Entry DOI: 10.7270/Q2WS8S6V
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM398514 (US10323020, Example 8 | [4-(3,4-Dihydroisoquinolin...) Show SMILES O=C(N1CCC(CC1)N1CCc2ccccc2C1)c1cnc(nc1)N1CC2(COC2)C1 Show InChI InChI=1S/C24H29N5O2/c30-22(20-11-25-23(26-12-20)29-14-24(15-29)16-31-17-24)27-9-6-21(7-10-27)28-8-5-18-3-1-2-4-19(18)13-28/h1-4,11-12,21H,5-10,13-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2PN9803
					More data for this Ligand-Target Pair

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