Compile Data Set for Download or QSAR

Found 1343 hits with Last Name = 'crespo' 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 A1 (Homo sapiens (Human))	BDBM50161342 (2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408573 (US10358435, Example 89 | US10358435, Example 90) Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)-c2nnn3c2CCC[C@@]3(C)c2ccc(cc2F)C(F)(F)F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408558 (US10358435, Example 74 | US10358435, Example 75) Show SMILES C[C@H](c1cn(nn1)-c1cc(=O)[nH]c(C)n1)c1ccc(cc1Cl)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268107 (CHEMBL485862 | CHEMBL500634 | N-(2-(2-phenyl-6-(4-...) Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1 Show InChI InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human A2B receptor				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01431 BindingDB Entry DOI: 10.7270/Q2JQ14S5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159502 (CHEMBL3786849) Show SMILES CC(=O)NCCNc1nc(nc2nc([nH]c12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1 Show InChI InChI=1S/C29H34N8O2/c1-21(38)30-14-15-31-26-24-27(34-25(33-26)23-12-6-3-7-13-23)35-28(32-24)29(39)37-19-17-36(18-20-37)16-8-11-22-9-4-2-5-10-22/h2-7,9-10,12-13H,8,11,14-20H2,1H3,(H,30,38)(H2,31,32,33,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]OSIP339391 from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 60 mins				J Med Chem 59: 1967-83 (2016) Article DOI: 10.1021/acs.jmedchem.5b01586 BindingDB Entry DOI: 10.7270/Q2QF8VS9
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408512 (US10358435, Example 29) Show SMILES CC(N=[N+]=[N-])c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C9H7ClF3N3/c1-5(15-16-14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408575 ((S)- or (R)-6-(7-(2-Fluoro-4- (trifluoromethyl)phe...) Show SMILES COc1cccc(Cc2nc(cc(=O)[nH]2)-c2nnn3c2CCCC3(C)c2ccc(cc2F)C(F)(F)F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Phosphodiesterase (Macaca mulatta (Rhesus macaque))	BDBM408512 (US10358435, Example 29) Show SMILES CC(N=[N+]=[N-])c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C9H7ClF3N3/c1-5(15-16-14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Phosphodiesterase (Macaca mulatta (Rhesus macaque))	BDBM408573 (US10358435, Example 89 | US10358435, Example 90) Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)-c2nnn3c2CCC[C@@]3(C)c2ccc(cc2F)C(F)(F)F)cc1 |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50576278 (CHEMBL4863002) Show SMILES C[C@@H](c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE2				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128082 BindingDB Entry DOI: 10.7270/Q2KK9GNG
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408564 (US10358435, Example 80 | US10358435, Example 81) Show SMILES Cc1nc(cc(=O)[nH]1)-c1nnc2n1CCC[C@@]2(C)c1ccc(cc1F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584560 (CHEMBL5077370) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50576275 (CHEMBL4873599) Show SMILES C[C@@H](c1nn(CCO)c2c1nc(C)[nH]c2=O)c1ccc(c(F)c1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE2				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128082 BindingDB Entry DOI: 10.7270/Q2KK9GNG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50161342 (2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...) Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1 Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]SCH-58261 from A2A adenosine receptor (unknown origin) expressed in HEK cell membrane incubated for 60 mins at room temperature b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375499 (CHEMBL259319) Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1 Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408571 (US10358435, Example 87 | US10358435, Example 88) Show SMILES Cc1nc(cc(=O)[nH]1)-c1nnn2c1CCC[C@@]2(C)c1ccc(cc1Cl)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50576279 (CHEMBL4871796) Show SMILES C[C@@H](c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(C)(C)C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE2				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128082 BindingDB Entry DOI: 10.7270/Q2KK9GNG
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408542 ((R)- or (S)-6-(7-(2-fluoro-4- (trifluoromethyl)phe...) Show SMILES Cc1nc(cc(=O)[nH]1)-c1nnn2c1COCC2(C)c1ccc(cc1F)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Phosphodiesterase (Macaca mulatta (Rhesus macaque))	BDBM408582 ((R)- or (S)-6-(6-(2-Fluoro-4- (trifluoromethyl)phe...) Show SMILES Cc1nc(cc(=O)[nH]1)-c1nnn2c1CCC2(C)c1ccc(cc1F)C(F)(F)F Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584555 (CHEMBL5084351) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408582 ((R)- or (S)-6-(6-(2-Fluoro-4- (trifluoromethyl)phe...) Show SMILES Cc1nc(cc(=O)[nH]1)-c1nnn2c1CCC2(C)c1ccc(cc1F)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408515 (6-(1-(2-(2-chloro-4-ethylphenyl) propan-2-yl)-1H-1...) Show SMILES CCc1ccc(c(Cl)c1)C(C)(C)n1cc(nn1)-c1cc(=O)[nH]c(C)n1 Show InChI InChI=1S/C18H20ClN5O/c1-5-12-6-7-13(14(19)8-12)18(3,4)24-10-16(22-23-24)15-9-17(25)21-11(2)20-15/h6-10H,5H2,1-4H3,(H,20,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50576271 (CHEMBL4877091) Show SMILES C[C@@H](c1nn(CCO)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE2				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128082 BindingDB Entry DOI: 10.7270/Q2KK9GNG
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408518 (US10358435, Example 35 | US10358435, Example 36) Show SMILES C[C@H](c1ccc(cc1Cl)C(F)(F)F)n1cc(nn1)-c1cc(=O)[nH]c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408513 (6-(1-(2-(2-chloro-4-(trifluoromethyl) phenyl)propa...) Show SMILES Cc1nc(cc(=O)[nH]1)-c1cn(nn1)C(C)(C)c1ccc(cc1Cl)C(C)(C)C Show InChI InChI=1S/C20H24ClN5O/c1-12-22-16(10-18(27)23-12)17-11-26(25-24-17)20(5,6)14-8-7-13(9-15(14)21)19(2,3)4/h7-11H,1-6H3,(H,22,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Phosphodiesterase (Macaca mulatta (Rhesus macaque))	BDBM408564 (US10358435, Example 80 | US10358435, Example 81) Show SMILES Cc1nc(cc(=O)[nH]1)-c1nnc2n1CCC[C@@]2(C)c1ccc(cc1F)C(F)(F)F |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584559 (CHEMBL5088876) Show SMILES COc1cc(OC)cc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408580 (US10358435, Example 95 | US10358435, Example 96) Show SMILES CCc1ccc(c(F)c1)[C@@]1(C)CCCc2c(nnn12)-c1cc(=O)[nH]c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50375500 (CHEMBL259607) Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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 A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Phosphodiesterase (Macaca mulatta (Rhesus macaque))	BDBM408571 (US10358435, Example 87 | US10358435, Example 88) Show SMILES Cc1nc(cc(=O)[nH]1)-c1nnn2c1CCC[C@@]2(C)c1ccc(cc1Cl)C(F)(F)F |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM385964 (US10287293, Example 13 | US10287293, Example 14) Show SMILES C[C@@H](c1nn(CCF)c2c1nc(C)[nH]c2=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PDE2				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128082 BindingDB Entry DOI: 10.7270/Q2KK9GNG
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human Adenosine A2A receptor expressed in HeLa cells after 30 mins				J Med Chem 59: 1967-83 (2016) Article DOI: 10.1021/acs.jmedchem.5b01586 BindingDB Entry DOI: 10.7270/Q2QF8VS9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21190 (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...) Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1 Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]ZM2421385 from adenosine A2A receptor expressed in human HeLa cell membranes incubated for 30 mins by scintillation counting meth...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01431 BindingDB Entry DOI: 10.7270/Q2JQ14S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]IABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs				J Med Chem 59: 1967-83 (2016) Article DOI: 10.1021/acs.jmedchem.5b01586 BindingDB Entry DOI: 10.7270/Q2QF8VS9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human A2B receptor				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01431 BindingDB Entry DOI: 10.7270/Q2JQ14S5
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50089636 (CHEMBL3578271) Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to mineralocorticoid receptor (unknown origin)				ACS Med Chem Lett 6: 461-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00010 BindingDB Entry DOI: 10.7270/Q21J9CH4
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408498 (US10358435, Example 19 | cyclopropyl(2-fluoro-4- (...) Show SMILES OC(C1CC1)c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C11H10F4O/c12-9-5-7(11(13,14)15)3-4-8(9)10(16)6-1-2-6/h3-6,10,16H,1-2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584556 (CHEMBL5086406) Show SMILES COc1cccc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.10	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 A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Phosphodiesterase (Macaca mulatta (Rhesus macaque))	BDBM408515 (6-(1-(2-(2-chloro-4-ethylphenyl) propan-2-yl)-1H-1...) Show SMILES CCc1ccc(c(Cl)c1)C(C)(C)n1cc(nn1)-c1cc(=O)[nH]c(C)n1 Show InChI InChI=1S/C18H20ClN5O/c1-5-12-6-7-13(14(19)8-12)18(3,4)24-10-16(22-23-24)15-9-17(25)21-11(2)20-15/h6-10H,5H2,1-4H3,(H,20,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50584608 (CHEMBL5071174) Show SMILES N#Cc1c(nc(Nc2ccccc2)nc1-c1ccccc1)-c1ccco1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells after 60 mins				J Med Chem 59: 1967-83 (2016) Article DOI: 10.1021/acs.jmedchem.5b01586 BindingDB Entry DOI: 10.7270/Q2QF8VS9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	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 A1 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01431 BindingDB Entry DOI: 10.7270/Q2JQ14S5
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	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 A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584557 (CHEMBL5086487) Show SMILES CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	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 A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584558 (CHEMBL5072557) Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	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 A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584560 (CHEMBL5077370) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	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 A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50584559 (CHEMBL5088876) Show SMILES COc1cc(OC)cc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	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 A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01636 BindingDB Entry DOI: 10.7270/Q2M61Q5K
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM408500 ((R)- or (S)-6-(1-(1-(2,3-difluoro- 4-(trifluoromet...) Show SMILES CCc1ccc(C(C)n2cc(nn2)-c2cc(=O)[nH]c(C)n2)c(F)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10358435 (2019) BindingDB Entry DOI: 10.7270/Q2Q242M7
					More data for this Ligand-Target Pair

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