Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'mandal' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5'-nucleotidase (Homo sapiens (Human))	BDBM50527134 (CHEMBL4471306 | US20230295213, Compound a) Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r| Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in HEK293 cells using AMP as substrate preincubated for 1 h...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Homo sapiens (Human))	BDBM18136 (ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human CD73				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527650 (CHEMBL4438144) Show SMILES Fc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C24H15FN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527649 (CHEMBL4467828) Show SMILES Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C24H15ClN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Homo sapiens (Human))	BDBM50527711 (CHEMBL4576728) Show SMILES N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1 Show InChI InChI=1S/C24H16N8/c25-13-16-1-3-17(4-2-16)15-31-23(9-10-27-31)18-6-8-21-24(11-18)32(30-29-21)20-7-5-19-14-26-28-22(19)12-20/h1-12,14H,15H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527649 (CHEMBL4467828) Show SMILES Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C24H15ClN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Homo sapiens (Human))	BDBM50527650 (CHEMBL4438144) Show SMILES Fc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C24H15FN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527654 (CHEMBL4549571) Show SMILES Clc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c(Cl)c1 Show InChI InChI=1S/C23H15Cl2N7/c24-17-4-1-16(19(25)10-17)13-31-22(7-8-27-31)14-3-6-20-23(9-14)32(30-29-20)18-5-2-15-12-26-28-21(15)11-18/h1-12H,13H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527647 (CHEMBL4454039) Show SMILES Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1 Show InChI InChI=1S/C22H14Cl2N8/c23-15-2-3-16(25-11-15)12-31-20(5-6-27-31)14-7-18(24)22-21(8-14)32(30-29-22)17-4-1-13-10-26-28-19(13)9-17/h1-11H,12H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527652 (CHEMBL4454426) Show SMILES Clc1cc(ccc1Cn1nccc1-c1cc2n(nnc2cn1)-c1ccc2[nH]c(=O)[nH]c2c1)C#N Show InChI InChI=1S/C23H14ClN9O/c24-16-7-13(10-25)1-2-14(16)12-32-21(5-6-27-32)19-9-22-20(11-26-19)30-31-33(22)15-3-4-17-18(8-15)29-23(34)28-17/h1-9,11H,12H2,(H2,28,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527648 (CHEMBL4516795) Show SMILES Fc1cc(cc2n(nnc12)-c1ccc2[nH]c(=O)[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C24H15FN8O/c25-18-9-16(21-7-8-27-32(21)13-15-3-1-14(12-26)2-4-15)10-22-23(18)30-31-33(22)17-5-6-19-20(11-17)29-24(34)28-19/h1-11H,13H2,(H2,28,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527693 (CHEMBL4463759) Show SMILES Fc1cc(Cl)ccc1Cn1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C23H15ClFN7/c24-17-4-1-16(19(25)10-17)13-31-22(7-8-27-31)14-3-6-20-23(9-14)32(30-29-20)18-5-2-15-12-26-28-21(15)11-18/h1-12H,13H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50527650 (CHEMBL4438144) Show SMILES Fc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C24H15FN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<55	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50527649 (CHEMBL4467828) Show SMILES Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C24H15ClN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<55	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50527647 (CHEMBL4454039) Show SMILES Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1 Show InChI InChI=1S/C22H14Cl2N8/c23-15-2-3-16(25-11-15)12-31-20(5-6-27-31)14-7-18(24)22-21(8-14)32(30-29-22)17-4-1-13-10-26-28-19(13)9-17/h1-11H,12H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<55	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527646 (CHEMBL4522718) Show SMILES Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)nc1 Show InChI InChI=1S/C22H14Cl2N8O/c23-13-1-2-14(25-10-13)11-31-19(5-6-26-31)12-7-16(24)21-20(8-12)32(30-29-21)15-3-4-17-18(9-15)28-22(33)27-17/h1-10H,11H2,(H2,27,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527655 (CHEMBL4456158) Show SMILES Clc1cc(cc2n(nnc12)-c1ccc2[nH]c(=O)[nH]c2c1)-c1ccnn1Cc1ccc(cn1)C#N Show InChI InChI=1S/C23H14ClN9O/c24-17-7-14(20-5-6-27-32(20)12-15-2-1-13(10-25)11-26-15)8-21-22(17)30-31-33(21)16-3-4-18-19(9-16)29-23(34)28-18/h1-9,11H,12H2,(H2,28,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527653 (CHEMBL4527606) Show SMILES Nc1nn(-c2ccc3cn[nH]c3c2)c2cc(cnc12)-c1ccnn1Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H16Cl2N8/c24-16-3-1-14(18(25)8-16)12-32-20(5-6-29-32)15-7-21-22(27-10-15)23(26)31-33(21)17-4-2-13-11-28-30-19(13)9-17/h1-11H,12H2,(H2,26,31)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527651 (CHEMBL4581829) Show SMILES N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1 Show InChI InChI=1S/C23H15N9/c24-11-15-1-4-18(25-12-15)14-31-22(7-8-27-31)16-3-6-20-23(9-16)32(30-29-20)19-5-2-17-13-26-28-21(17)10-19/h1-10,12-13H,14H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527645 (CHEMBL4527142) Show SMILES Clc1ccc(Cn2nccc2-c2cc3n(nnc3cn2)-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1 Show InChI InChI=1S/C22H14Cl2N8O/c23-13-2-1-12(15(24)7-13)11-31-20(5-6-26-31)18-9-21-19(10-25-18)29-30-32(21)14-3-4-16-17(8-14)28-22(33)27-16/h1-10H,11H2,(H2,27,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate additio...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527685 (CHEMBL4528781) Show SMILES Clc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1 Show InChI InChI=1S/C23H16ClN7/c24-18-5-1-15(2-6-18)14-30-22(9-10-26-30)16-4-8-20-23(11-16)31(29-28-20)19-7-3-17-13-25-27-21(17)12-19/h1-13H,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527686 (CHEMBL4453205) Show SMILES Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1 Show InChI InChI=1S/C24H19N7/c1-16-2-4-17(5-3-16)15-30-23(10-11-26-30)18-7-9-21-24(12-18)31(29-28-21)20-8-6-19-14-25-27-22(19)13-20/h2-14H,15H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527683 (CHEMBL4450557) Show SMILES Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccccc1 Show InChI InChI=1S/C23H16ClN7/c24-19-10-17(21-8-9-26-30(21)14-15-4-2-1-3-5-15)11-22-23(19)28-29-31(22)18-7-6-16-13-25-27-20(16)12-18/h1-13H,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527684 (CHEMBL4443574) Show SMILES Clc1ccccc1Cn1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C23H16ClN7/c24-19-4-2-1-3-17(19)14-30-22(9-10-26-30)15-6-8-20-23(11-15)31(29-28-20)18-7-5-16-13-25-27-21(16)12-18/h1-13H,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527691 (CHEMBL4469265) Show SMILES Clc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1 Show InChI InChI=1S/C22H15ClN8/c23-16-3-4-17(24-12-16)13-30-21(7-8-26-30)14-2-6-19-22(9-14)31(29-28-19)18-5-1-15-11-25-27-20(15)10-18/h1-12H,13H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527682 (CHEMBL4473774) Show SMILES Fc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccccc1 Show InChI InChI=1S/C23H16FN7/c24-19-10-17(21-8-9-26-30(21)14-15-4-2-1-3-5-15)11-22-23(19)28-29-31(22)18-7-6-16-13-25-27-20(16)12-18/h1-13H,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527656 (CHEMBL4592018) Show SMILES Cc1cccc(c1)-n1nccc1-c1cc(Cl)c2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C23H16ClN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Homo sapiens (Human))	BDBM50527710 (CHEMBL4547622) Show SMILES Cc1ccccc1Cn1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C24H19N7/c1-16-4-2-3-5-19(16)15-30-23(10-11-26-30)17-7-9-21-24(12-17)31(29-28-21)20-8-6-18-14-25-27-22(18)13-20/h2-14H,15H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527641 (CHEMBL4591024) Show SMILES C(c1ccccn1)n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C22H16N8/c1-2-9-23-17(3-1)14-29-21(8-10-25-29)15-5-7-19-22(11-15)30(28-27-19)18-6-4-16-13-24-26-20(16)12-18/h1-13H,14H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50527647 (CHEMBL4454039) Show SMILES Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1 Show InChI InChI=1S/C22H14Cl2N8/c23-15-2-3-16(25-11-15)12-31-20(5-6-27-31)14-7-18(24)22-21(8-14)32(30-29-22)17-4-1-13-10-26-28-19(13)9-17/h1-11H,12H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver microsome CYP2C19 using S-mephenytoin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50527651 (CHEMBL4581829) Show SMILES N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1 Show InChI InChI=1S/C23H15N9/c24-11-15-1-4-18(25-12-15)14-31-22(7-8-27-31)16-3-6-20-23(9-16)32(30-29-20)19-5-2-17-13-26-28-21(17)10-19/h1-10,12-13H,14H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of GST-fussed c-SRC after 30 mins				Bioorg Med Chem Lett 21: 1342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.047 BindingDB Entry DOI: 10.7270/Q2P84C6B
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins				Bioorg Med Chem 20: 6821-30 (2012) Article DOI: 10.1016/j.bmc.2012.09.057 BindingDB Entry DOI: 10.7270/Q23B619Q
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of c-Src after 60 mins				Bioorg Med Chem Lett 21: 449-52 (2010) Article DOI: 10.1016/j.bmcl.2010.10.121 BindingDB Entry DOI: 10.7270/Q23B60DN
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527657 (CHEMBL4450136) Show SMILES Cc1cccc(c1)-n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C23H17N7/c1-15-3-2-4-18(11-15)29-22(9-10-25-29)16-6-8-20-23(12-16)30(28-27-20)19-7-5-17-14-24-26-21(17)13-19/h2-14H,1H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527681 (CHEMBL4458017) Show SMILES FC(F)(F)c1cccc(c1)-n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C23H14F3N7/c24-23(25,26)16-2-1-3-17(11-16)32-21(8-9-28-32)14-5-7-19-22(10-14)33(31-30-19)18-6-4-15-13-27-29-20(15)12-18/h1-13H,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527694 (CHEMBL4475618) Show SMILES Cc1cccc(c1)-n1nccc1-c1cc(F)c2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C23H16FN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	333	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527716 (CHEMBL4588425) Show SMILES Clc1cccc(c1)-n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C22H14ClN7/c23-16-2-1-3-17(11-16)29-21(8-9-25-29)14-5-7-19-22(10-14)30(28-27-19)18-6-4-15-13-24-26-20(15)12-18/h1-13H,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527702 (CHEMBL4580953) Show SMILES FC(F)(F)Oc1cccc(c1)-n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C23H14F3N7O/c24-23(25,26)34-18-3-1-2-16(11-18)32-21(8-9-28-32)14-5-7-19-22(10-14)33(31-30-19)17-6-4-15-13-27-29-20(15)12-17/h1-13H,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	408	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527690 (CHEMBL4465633) Show SMILES Clc1ccc(Cl)c(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)n1 Show InChI InChI=1S/C22H14Cl2N8/c23-16-4-6-22(24)27-19(16)12-31-20(7-8-26-31)13-2-5-17-21(9-13)32(30-29-17)15-3-1-14-11-25-28-18(14)10-15/h1-11H,12H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527689 (CHEMBL4471082) Show SMILES CC(C)c1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1 Show InChI InChI=1S/C26H23N7/c1-17(2)19-5-3-18(4-6-19)16-32-25(11-12-28-32)20-8-10-23-26(13-20)33(31-30-23)22-9-7-21-15-27-29-24(21)14-22/h3-15,17H,16H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	594	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527640 (CHEMBL4545510) Show SMILES COc1cccc(c1)-n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C23H17N7O/c1-31-19-4-2-3-17(12-19)29-22(9-10-25-29)15-6-8-20-23(11-15)30(28-27-20)18-7-5-16-14-24-26-21(16)13-18/h2-14H,1H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527692 (CHEMBL4444065) Show SMILES C(c1ccncc1)n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C22H16N8/c1-3-18(12-20-17(1)13-24-26-20)30-22-11-16(2-4-19(22)27-28-30)21-7-10-25-29(21)14-15-5-8-23-9-6-15/h1-13H,14H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	651	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase CSK (Homo sapiens (Human))	BDBM50433806 (CHEMBL2382016) Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r,wU:100.108,111.119,7.6,11.11,25.27,36.38,50.54,86.92,75.81,61.65,(13.76,10.06,;12.41,9.29,;12.41,7.74,;11.08,10.06,;9.74,9.29,;9.74,7.82,;8.46,7.09,;8.46,5.61,;7.19,4.87,;7.19,3.4,;8.46,2.66,;5.91,2.66,;4.63,3.4,;4.63,4.94,;5.88,5.86,;5.4,7.32,;3.86,7.32,;2.83,8.45,;1.32,8.13,;.85,6.67,;1.89,5.54,;3.38,5.86,;5.91,1.19,;4.63,.45,;3.37,1.19,;4.63,-1.02,;3.37,-1.77,;2.08,-1.02,;.81,-1.77,;-.55,-1,;-.55,.55,;-1.89,1.33,;.79,1.33,;5.91,-1.77,;5.9,-3.23,;7.18,-3.98,;4.62,-3.97,;3.35,-3.22,;2,-3.99,;1.83,-5.53,;.32,-5.84,;-.45,-4.5,;-1.95,-4.17,;-2.42,-2.7,;-1.39,-1.56,;.12,-1.89,;.59,-3.36,;4.61,-5.44,;5.89,-6.18,;7.17,-5.45,;5.88,-7.66,;4.6,-8.39,;3.33,-7.64,;1.99,-8.41,;1.98,-9.96,;.64,-10.73,;.64,-12.28,;-.71,-9.95,;7.16,-8.4,;7.15,-9.94,;5.81,-10.71,;8.48,-10.72,;8.48,-12.27,;9.82,-13.04,;9.99,-14.58,;11.5,-14.9,;12.27,-13.56,;13.78,-13.24,;14.26,-11.78,;13.22,-10.63,;11.72,-10.95,;11.24,-12.41,;9.83,-9.95,;9.83,-8.4,;8.49,-7.63,;11.17,-7.63,;12.51,-8.41,;13.85,-7.64,;15.19,-8.42,;16.53,-7.65,;17.87,-8.42,;19.21,-7.65,;17.87,-9.97,;11.18,-6.09,;13.56,-3.23,;14.84,-3.97,;13.56,-1.77,;14.84,-1.02,;16.18,-1.79,;17.59,-1.15,;18.64,-2.3,;17.87,-3.64,;18.34,-5.1,;17.32,-6.25,;15.81,-5.93,;15.33,-4.47,;16.36,-3.32,;12.28,-1.02,;12.28,.45,;11.01,1.19,;13.56,1.19,;14.84,.45,;16.11,1.19,;17.45,.42,;18.8,1.18,;20.13,.41,;21.47,1.17,;20.12,-1.15,;13.56,2.66,;12.28,3.4,;11.01,2.66,;12.28,4.87,;13.56,5.61,;14.9,4.84,;15.07,3.29,;16.58,2.98,;17.35,4.31,;18.86,4.62,;19.34,6.09,;18.3,7.25,;16.8,6.93,;16.33,5.45,;11.01,5.61,;9.74,4.87,;9.74,3.4,)| Show InChI InChI=1S/C85H110N30O10/c86-81(87)96-31-11-26-61-71(116)111-66(36-46-41-101-56-21-6-1-16-51(46)56)76(121)106-62(27-12-32-97-82(88)89)72(117)112-68(38-48-43-103-58-23-8-3-18-53(48)58)78(123)108-64(29-14-34-99-84(92)93)74(119)114-70(40-50-45-105-60-25-10-5-20-55(50)60)80(125)110-65(30-15-35-100-85(94)95)75(120)115-69(39-49-44-104-59-24-9-4-19-54(49)59)79(124)109-63(28-13-33-98-83(90)91)73(118)113-67(77(122)107-61)37-47-42-102-57-22-7-2-17-52(47)57/h1-10,16-25,41-45,61-70,101-105H,11-15,26-40H2,(H,106,121)(H,107,122)(H,108,123)(H,109,124)(H,110,125)(H,111,116)(H,112,117)(H,113,118)(H,114,119)(H,115,120)(H4,86,87,96)(H4,88,89,97)(H4,90,91,98)(H4,92,93,99)(H4,94,95,100)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Rhode Island Curated by ChEMBL					Assay Description Inhibition of GST-fused Csk (unknown origin) expressed in Escherichia coli using polyE4Y as substrate after 20 mins by scintillation counting analysi...				Bioorg Med Chem Lett 23: 3230-4 (2013) Article DOI: 10.1016/j.bmcl.2013.03.124 BindingDB Entry DOI: 10.7270/Q2JW8G8Z
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527703 (CHEMBL4554174) Show SMILES Clc1cccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1 Show InChI InChI=1S/C23H16ClN7/c24-18-3-1-2-15(10-18)14-30-22(8-9-26-30)16-5-7-20-23(11-16)31(29-28-20)19-6-4-17-13-25-27-21(17)12-19/h1-13H,14H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527658 (CHEMBL4470469) Show SMILES C(c1ccccc1)n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C23H17N7/c1-2-4-16(5-3-1)15-29-22(10-11-25-29)17-7-9-20-23(12-17)30(28-27-20)19-8-6-18-14-24-26-21(18)13-19/h1-14H,15H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527696 (CHEMBL4472891) Show SMILES Cn1nccc1-c1cc(Cl)c2nnn(-c3cccc(O)c3)c2c1 Show InChI InChI=1S/C16H12ClN5O/c1-21-14(5-6-18-21)10-7-13(17)16-15(8-10)22(20-19-16)11-3-2-4-12(23)9-11/h2-9,23H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527709 (CHEMBL4442923) Show SMILES Fc1cccc(c1)-n1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C22H14FN7/c23-16-2-1-3-17(11-16)29-21(8-9-25-29)14-5-7-19-22(10-14)30(28-27-19)18-6-4-15-13-24-26-20(15)12-18/h1-13H,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Arcus Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measur...				J Med Chem 63: 3935-3955 (2020) Article DOI: 10.1021/acs.jmedchem.9b01713 BindingDB Entry DOI: 10.7270/Q2G1648T
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142887 (1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...) Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of GST-fussed c-SRC after 30 mins				Bioorg Med Chem Lett 21: 1342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.047 BindingDB Entry DOI: 10.7270/Q2P84C6B
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142887 (1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...) Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins				Bioorg Med Chem 20: 6821-30 (2012) Article DOI: 10.1016/j.bmc.2012.09.057 BindingDB Entry DOI: 10.7270/Q23B619Q
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 209 total )  |  Next  |  Last  >>

Jump to: