Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'dumont' and Initial = 'c'   

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
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500514 (CHEMBL3746819) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1ccc(cc1)-n1cccc1 Show InChI InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)18-6-2-1-5-17(18)15-7-9-16(10-8-15)28-11-3-4-12-28/h1-14H,(H2,23,24,25,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate h...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM68391 ((2R,3S,4S,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hy...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive type of inhibition of human 5'-nucleotidase using IMP as substrate assessed as inhibitor constant for free enzyme by Lineweaver-Burk plot...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522285 (CHEMBL4549109) Show SMILES CCOP([O-])(=O)Cn1cnc(c1)-c1cccc(c1)-c1cccc(c1)C(=O)Nc1ncnc2nc[nH]c12 Show InChI InChI=1S/C24H22N7O4P/c1-2-35-36(33,34)15-31-11-20(29-14-31)18-7-3-5-16(9-18)17-6-4-8-19(10-17)24(32)30-23-21-22(26-12-25-21)27-13-28-23/h3-14H,2,15H2,1H3,(H,33,34)(H2,25,26,27,28,30,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for free enzyme using varying level of IMP as substrate by...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522285 (CHEMBL4549109) Show SMILES CCOP([O-])(=O)Cn1cnc(c1)-c1cccc(c1)-c1cccc(c1)C(=O)Nc1ncnc2nc[nH]c12 Show InChI InChI=1S/C24H22N7O4P/c1-2-35-36(33,34)15-31-11-20(29-14-31)18-7-3-5-16(9-18)17-6-4-8-19(10-17)24(32)30-23-21-22(26-12-25-21)27-13-28-23/h3-14H,2,15H2,1H3,(H,33,34)(H2,25,26,27,28,30,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.82E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analys...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500511 (CHEMBL3746624) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1cccc(c1)-n1cccc1 Show InChI InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)17-7-3-5-15(11-17)16-6-4-8-18(12-16)28-9-1-2-10-28/h1-14H,(H2,23,24,25,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate h...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.43E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analys...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	8.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analys...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM68391 ((2R,3S,4S,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hy...) Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Non-competitive type of inhibition of human 5'-nucleotidase using IMP as substrate assessed as inhibitor constant for enzyme substrate complex by Lin...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydro...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of 5'-nucleotidase (unknown origin) using varying level of IMP as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.95E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for free enzyme using varying level of IMP as substrate by...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522286 (CHEMBL3237671) Show SMILES [Na;v0+].[Na;v0+].[H][C@@]1([#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]1-[#8])-n1ccc(-[#7])nc1=O)[#6@H](-[#8])-[#6]P([#8-])([#8-])=O |r| Show InChI InChI=1S/C10H16N3O8P.2Na/c11-5-1-2-13(10(17)12-5)9-7(16)6(15)8(21-9)4(14)3-22(18,19)20;;/h1-2,4,6-9,14-16H,3H2,(H2,11,12,17)(H2,18,19,20);;/q;2*+1/p-2/t4-,6+,7-,8-,9-;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of 5'-nucleotidase (unknown origin) using varying level of IMP as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522285 (CHEMBL4549109) Show SMILES CCOP([O-])(=O)Cn1cnc(c1)-c1cccc(c1)-c1cccc(c1)C(=O)Nc1ncnc2nc[nH]c12 Show InChI InChI=1S/C24H22N7O4P/c1-2-35-36(33,34)15-31-11-20(29-14-31)18-7-3-5-16(9-18)17-6-4-8-19(10-17)24(32)30-23-21-22(26-12-25-21)27-13-28-23/h3-14H,2,15H2,1H3,(H,33,34)(H2,25,26,27,28,30,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot anal...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.48E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for free enzyme using varying level of IMP as substrate by...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500513 (CHEMBL3746419) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1cccc(c1)-n1cccc1 Show InChI InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)18-9-2-1-8-17(18)15-6-5-7-16(12-15)28-10-3-4-11-28/h1-14H,(H2,23,24,25,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.65E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate h...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.65E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot anal...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522285 (CHEMBL4549109) Show SMILES CCOP([O-])(=O)Cn1cnc(c1)-c1cccc(c1)-c1cccc(c1)C(=O)Nc1ncnc2nc[nH]c12 Show InChI InChI=1S/C24H22N7O4P/c1-2-35-36(33,34)15-31-11-20(29-14-31)18-7-3-5-16(9-18)17-6-4-8-19(10-17)24(32)30-23-21-22(26-12-25-21)27-13-28-23/h3-14H,2,15H2,1H3,(H,33,34)(H2,25,26,27,28,30,32)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Noncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot ana...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500510 (CHEMBL3746211) Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)c1ccc2-[#6](=O)-c3cc(ccc3-[#6](=O)-c2c1)S([#8-])(=O)=O Show InChI InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)/p-2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of 5'-nucleotidase (unknown origin) using varying level of IMP as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500510 (CHEMBL3746211) Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)c1ccc2-[#6](=O)-c3cc(ccc3-[#6](=O)-c2c1)S([#8-])(=O)=O Show InChI InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydrolysis by rap...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522287 (CHEMBL4438573) Show SMILES OP(O)(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C19H16N5O4P/c25-19(15-8-4-7-14(9-15)13-5-2-1-3-6-13)23-17-16-18(21-10-20-17)24(11-22-16)12-29(26,27)28/h1-11H,12H2,(H2,26,27,28)(H,20,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analys...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522287 (CHEMBL4438573) Show SMILES OP(O)(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C19H16N5O4P/c25-19(15-8-4-7-14(9-15)13-5-2-1-3-6-13)23-17-16-18(21-10-20-17)24(11-22-16)12-29(26,27)28/h1-11H,12H2,(H2,26,27,28)(H,20,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for free enzyme using varying level of IMP as substrate by...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.44E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot anal...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.52E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Noncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot ana...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Cytosolic purine 5'-nucleotidase (Homo sapiens)	BDBM50500512 (CHEMBL3746515) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.78E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydro...				J Med Chem 58: 9680-96 (2015) Article DOI: 10.1021/acs.jmedchem.5b01616 BindingDB Entry DOI: 10.7270/Q2SF3062
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.36E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Noncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot ana...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522287 (CHEMBL4438573) Show SMILES OP(O)(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C19H16N5O4P/c25-19(15-8-4-7-14(9-15)13-5-2-1-3-6-13)23-17-16-18(21-10-20-17)24(11-22-16)12-29(26,27)28/h1-11H,12H2,(H2,26,27,28)(H,20,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.98E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot anal...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50500515 (CHEMBL3747390) Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	6.27E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for enzyme substrate complex using varying level of IMP as...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522287 (CHEMBL4438573) Show SMILES OP(O)(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C19H16N5O4P/c25-19(15-8-4-7-14(9-15)13-5-2-1-3-6-13)23-17-16-18(21-10-20-17)24(11-22-16)12-29(26,27)28/h1-11H,12H2,(H2,26,27,28)(H,20,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.97E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Noncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot ana...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50522288 (CHEMBL4518527) Show SMILES OC(=O)Cn1cnc2c(NC(=O)c3cccc(c3)-c3ccccc3)ncnc12 Show InChI InChI=1S/C20H15N5O3/c26-16(27)10-25-12-23-17-18(21-11-22-19(17)25)24-20(28)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,26,27)(H,21,22,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.13E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for enzyme substrate complex using varying level of IMP as...				Eur J Med Chem 168: 28-44 (2019) Article DOI: 10.1016/j.ejmech.2019.02.040 BindingDB Entry DOI: 10.7270/Q25D8W8P
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50193013 (Duvelisib | INK-1147 | INK-1197 | IPI-145) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCdelta/PIK3R1 (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50193013 (Duvelisib | INK-1147 | INK-1197 | IPI-145) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCgamma (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCdelta/PIK3R1 (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50224791 (CHEMBL333795 | RU-29717) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CCC Show InChI InChI=1S/C16H20N2O/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18/h3-5,10,14,16-17H,2,6-9H2,1H3/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in bovine anterior pituitary membrane using [3H]dihydroergocriptine as the radioli...				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50193013 (Duvelisib | INK-1147 | INK-1197 | IPI-145) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCbeta/PIK3R1 (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50028421 (9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...) Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in bovine anterior pituitary membrane using [3H]dihydroergocriptine as the radioli...				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50028421 (9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10...) Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in rat striatal membrane using [3H]spiroperidol as the radioligand				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224791 (CHEMBL333795 | RU-29717) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CCC Show InChI InChI=1S/C16H20N2O/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18/h3-5,10,14,16-17H,2,6-9H2,1H3/t14-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in rat striatal membrane using [3H]spiroperidol as the radioligand				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50470564 (CHEMBL4287314) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]1F |r| Show InChI InChI=1S/C11H15ClFN5O8P2/c12-11-16-8(14)6-9(17-11)18(2-15-6)10-5(13)7(19)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4-5,7,10,19H,1,3H2,(H,23,24)(H2,14,16,17)(H2,20,21,22)/t4-,5+,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of recombinant CD73 (27 to 549 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells assessed as reduction in conv...				Eur J Med Chem 157: 1051-1055 (2018) Article DOI: 10.1016/j.ejmech.2018.08.035 BindingDB Entry DOI: 10.7270/Q2QJ7M16
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50326928 ((2S,4R)-tert-butyl 4-(benzyloxy)-2-(((S)-6-(benzyl...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)OCc1ccccc1 |r| Show InChI InChI=1S/C35H51N3O7/c1-34(2,3)44-31(39)30(19-13-14-20-36-32(40)43-25-27-17-11-8-12-18-27)37-22-28-21-29(42-24-26-15-9-7-10-16-26)23-38(28)33(41)45-35(4,5)6/h7-12,15-18,28-30,37H,13-14,19-25H2,1-6H3,(H,36,40)/t28-,29+,30-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
UMR 5086 CNRS Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH3T3 cells assessed as inhibition of drug efflux by flow cytometry				J Med Chem 53: 6720-9 (2010) Article DOI: 10.1021/jm100839w BindingDB Entry DOI: 10.7270/Q22N52GS
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50470564 (CHEMBL4287314) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]1F |r| Show InChI InChI=1S/C11H15ClFN5O8P2/c12-11-16-8(14)6-9(17-11)18(2-15-6)10-5(13)7(19)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4-5,7,10,19H,1,3H2,(H,23,24)(H2,14,16,17)(H2,20,21,22)/t4-,5+,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Claude Bernard Lyon 1 Curated by ChEMBL					Assay Description Inhibition of CD73 in human NCI-H292 cells assessed as reduction in conversion of AMP to adenosine incubated for 30 mins by malachite green reagent b...				Eur J Med Chem 157: 1051-1055 (2018) Article DOI: 10.1016/j.ejmech.2018.08.035 BindingDB Entry DOI: 10.7270/Q2QJ7M16
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224801 (CHEMBL347326) Show SMILES [H][C@@]12Cc3c(Br)[nH]c4cccc(c34)[C@@]1([H])OCCN2CCC Show InChI InChI=1S/C16H19BrN2O/c1-2-6-19-7-8-20-15-10-4-3-5-12-14(10)11(9-13(15)19)16(17)18-12/h3-5,13,15,18H,2,6-9H2,1H3/t13-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in rat striatal membrane using [3H]spiroperidol as the radioligand				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCgamma (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50224798 (CHEMBL148600) Show SMILES [H][C@@]12CNc3cccc(c13)[C@@]1([H])OCCN(CCC)[C@]1([H])C2 Show InChI InChI=1S/C16H22N2O/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18/h3-5,11,14,16-17H,2,6-10H2,1H3/t11-,14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in bovine anterior pituitary membrane using [3H]dihydroergocriptine as the radioli...				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50193013 (Duvelisib | INK-1147 | INK-1197 | IPI-145) Show SMILES C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCalpha/PIK3R1 (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair
D(1A)/D(2) dopamine receptor (BOVINE)	BDBM50224801 (CHEMBL347326) Show SMILES [H][C@@]12Cc3c(Br)[nH]c4cccc(c34)[C@@]1([H])OCCN2CCC Show InChI InChI=1S/C16H19BrN2O/c1-2-6-19-7-8-20-15-10-4-3-5-12-14(10)11(9-13(15)19)16(17)18-12/h3-5,13,15,18H,2,6-9H2,1H3/t13-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in bovine anterior pituitary membrane using [3H]dihydroergocriptine as the radioli...				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224798 (CHEMBL148600) Show SMILES [H][C@@]12CNc3cccc(c13)[C@@]1([H])OCCN(CCC)[C@]1([H])C2 Show InChI InChI=1S/C16H22N2O/c1-2-6-18-7-8-19-16-12-4-3-5-13-15(12)11(10-17-13)9-14(16)18/h3-5,11,14,16-17H,2,6-10H2,1H3/t11-,14-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in rat striatal membrane using [3H]spiroperidol as the radioligand				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
INSERM 1052/CNRS 5286/University of Lyon Curated by ChEMBL					Assay Description Inhibition of PI3KCbeta/PIK3R1 (unknown origin)				Eur J Med Chem 158: 405-413 (2018) Article DOI: 10.1016/j.ejmech.2018.09.033 BindingDB Entry DOI: 10.7270/Q2KS6V81
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50326930 ((2S,4R)-tert-butyl 4-(benzyloxy)-2-((S)-6-(benzylo...) Show SMILES CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)OCc1ccccc1 |r| Show InChI InChI=1S/C35H49N3O8/c1-34(2,3)45-31(40)28(19-13-14-20-36-32(41)44-24-26-17-11-8-12-18-26)37-30(39)29-21-27(43-23-25-15-9-7-10-16-25)22-38(29)33(42)46-35(4,5)6/h7-12,15-18,27-29H,13-14,19-24H2,1-6H3,(H,36,41)(H,37,39)/t27-,28+,29+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
UMR 5086 CNRS Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH3T3 cells assessed as inhibition of drug efflux by flow cytometry				J Med Chem 53: 6720-9 (2010) Article DOI: 10.1021/jm100839w BindingDB Entry DOI: 10.7270/Q22N52GS
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224793 (CHEMBL330997) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2C Show InChI InChI=1S/C14H16N2O/c1-16-5-6-17-14-10-3-2-4-11-13(10)9(8-15-11)7-12(14)16/h2-4,8,12,14-15H,5-7H2,1H3/t12-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in rat striatal membrane using [3H]spiroperidol as the radioligand				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224799 (CHEMBL147244) Show SMILES [H][C@@]12Cc3c(Br)[nH]c4cccc(c34)[C@@]1([H])OCCN2C Show InChI InChI=1S/C14H15BrN2O/c1-17-5-6-18-13-8-3-2-4-10-12(8)9(7-11(13)17)14(15)16-10/h2-4,11,13,16H,5-7H2,1H3/t11-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine receptor was determined in rat striatal membrane using [3H]spiroperidol as the radioligand				J Med Chem 26: 522-7 (1983) BindingDB Entry DOI: 10.7270/Q2319Z2S
					More data for this Ligand-Target Pair

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