Compile Data Set for Download or QSAR

Found 661 hits with Last Name = 'gardelli' 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
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50274638 (CHEMBL4126156 | US10858355, Example 4) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human P2Y1 receptor				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274648 (CHEMBL4127396 | US10858355, Example 22) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(21-10)22-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)23-30(4,27)28/h7-8,11,13,23H,5-6,9H2,1-4H3,(H,21,22,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274640 (CHEMBL4126445) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274660 (CHEMBL4128537 | US10858355, Example 12) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(N)(=O)=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C19H22N4O4S2/c1-9-17(28-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(7-13)29(20,26)27/h6-7,10,12H,4-5,8H2,1-3H3,(H2,20,26,27)(H,21,22,24)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274675 (CHEMBL4126601) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C19H20ClN3O2S/c1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13/h6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274649 (CHEMBL4129600 | US10858355, Example 30) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(22-10)23-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)30(27,28)21-4/h7-8,11,13,21H,5-6,9H2,1-4H3,(H,22,23,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274641 (CHEMBL4126010 | US10858355, Example 27) Show SMILES COCCS(=O)(=O)Nc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(23-12)24-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)25-33(29,30)8-7-31-4/h9-10,13,15,25H,5-8,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274639 (CHEMBL4128230 | US10858355, Example 18) Show SMILES COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(24-12)25-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)33(29,30)23-7-8-31-4/h9-10,13,15,23H,5-8,11H2,1-4H3,(H,24,25,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274657 (CHEMBL4127833) Show SMILES C[C@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C19H20ClN3O2S/c1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13/h6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274642 (CHEMBL4129877) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc(NC(C)=O)s1 |r| Show InChI InChI=1S/C18H18ClN3O2S/c1-9(11-3-4-11)22-8-13-5-12(6-14(19)16(13)17(22)24)15-7-20-18(25-15)21-10(2)23/h5-7,9,11H,3-4,8H2,1-2H3,(H,20,21,23)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274655 (CHEMBL4129457) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)CCCO)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H27N3O5S2/c1-12-20(31-22(23-12)24-14(3)27)16-9-17-11-25(13(2)15-5-6-15)21(28)19(17)18(10-16)32(29,30)8-4-7-26/h9-10,13,15,26H,4-8,11H2,1-3H3,(H,23,24,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay				J Med Chem 61: 5974-5987 (2018) Article DOI: 10.1021/acs.jmedchem.8b00322 BindingDB Entry DOI: 10.7270/Q2WD433X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25330 (2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)...) Show SMILES CN(C)C1(CCOCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H25FN4O4/c1-24(2)20(8-10-29-11-9-20)19-23-15(16(26)18(28)25(19)3)17(27)22-12-13-4-6-14(21)7-5-13/h4-7,26H,8-12H2,1-3H3,(H,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay				J Med Chem 61: 5974-5987 (2018) Article DOI: 10.1021/acs.jmedchem.8b00322 BindingDB Entry DOI: 10.7270/Q2WD433X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Mus musculus (Mouse))	BDBM50274648 (CHEMBL4127396 | US10858355, Example 22) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(21-10)22-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)23-30(4,27)28/h7-8,11,13,23H,5-6,9H2,1-4H3,(H,21,22,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22682 (Bicyclic pyrimidinone, 15b | N-[(4-fluorophenyl)me...) Show SMILES CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(=O)Cn1cccn1 Show InChI InChI=1S/C22H23FN6O4/c1-27(17(30)13-28-10-3-9-25-28)16-4-2-11-29-20(16)26-18(19(31)22(29)33)21(32)24-12-14-5-7-15(23)8-6-14/h3,5-10,16,31H,2,4,11-13H2,1H3,(H,24,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25329 (N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)N1CCOCC1 Show InChI InChI=1S/C20H25FN4O4/c1-20(2,25-8-10-29-11-9-25)19-23-15(16(26)18(28)24(19)3)17(27)22-12-13-4-6-14(21)7-5-13/h4-7,26H,8-12H2,1-3H3,(H,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25343 (N-[2-(4-{[(4-fluoro-2-methanesulfonylphenyl)methyl...) Show SMILES CN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c(=O)n1C Show InChI InChI=1S/C21H26FN5O7S/c1-21(2,25-17(30)19(32)26(3)4)20-24-14(15(28)18(31)27(20)5)16(29)23-10-11-7-8-12(22)9-13(11)35(6,33)34/h7-9,28H,10H2,1-6H3,(H,23,29)(H,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25337 (N-methyl-pyrimidinone derivative, 13 | {[2-(4-{[(4...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)C(O)=O Show InChI InChI=1S/C18H19FN4O6/c1-18(2,22-14(26)16(28)29)17-21-11(12(24)15(27)23(17)3)13(25)20-8-9-4-6-10(19)7-5-9/h4-7,24H,8H2,1-3H3,(H,20,25)(H,22,26)(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22673 (9-[benzyl(methyl)amino]-N-[(4-fluorophenyl)methyl]...) Show SMILES CN(Cc1ccccc1)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O Show InChI InChI=1S/C24H25FN4O3/c1-28(15-17-6-3-2-4-7-17)19-8-5-13-29-22(19)27-20(21(30)24(29)32)23(31)26-14-16-9-11-18(25)12-10-16/h2-4,6-7,9-12,19,30H,5,8,13-15H2,1H3,(H,26,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22641 (2-{4-[2-(dimethylamino)acetyl]-1-methylpiperazin-2...) Show SMILES CN(C)CC(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C22H29FN6O4/c1-26(2)13-17(30)29-10-9-27(3)16(12-29)20-25-18(19(31)22(33)28(20)4)21(32)24-11-14-5-7-15(23)8-6-14/h5-8,16,31H,9-13H2,1-4H3,(H,24,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22670 (Bicyclic pyrimidinone, 9b | N-[(4-fluorophenyl)met...) Show SMILES Oc1c(nc2C(CCCn2c1=O)N1CCCCC1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C21H25FN4O3/c22-15-8-6-14(7-9-15)13-23-20(28)17-18(27)21(29)26-12-4-5-16(19(26)24-17)25-10-2-1-3-11-25/h6-9,16,27H,1-5,10-13H2,(H,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480787 (CHEMBL549592) Show SMILES CN1CCN(CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(C)=O Show InChI InChI=1S/C21H26FN5O4/c1-13(28)27-10-9-25(3)21(2,12-27)20-24-16(17(29)19(31)26(20)4)18(30)23-11-14-5-7-15(22)8-6-14/h5-8,29H,9-12H2,1-4H3,(H,23,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50280783 (CHEMBL4164328) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C23H26N4O2/c1-27(2)12-11-24-23(29)21-17-9-5-3-7-15(17)13-19(21)26-22(28)20-14-16-8-4-6-10-18(16)25-20/h3-10,14,19,21,25H,11-13H2,1-2H3,(H,24,29)(H,26,28)/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae				J Med Chem 61: 5974-5987 (2018) Article DOI: 10.1021/acs.jmedchem.8b00322 BindingDB Entry DOI: 10.7270/Q2WD433X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50280783 (CHEMBL4164328) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C23H26N4O2/c1-27(2)12-11-24-23(29)21-17-9-5-3-7-15(17)13-19(21)26-22(28)20-14-16-8-4-6-10-18(16)25-20/h3-10,14,19,21,25H,11-13H2,1-2H3,(H,24,29)(H,26,28)/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay				J Med Chem 61: 5974-5987 (2018) Article DOI: 10.1021/acs.jmedchem.8b00322 BindingDB Entry DOI: 10.7270/Q2WD433X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25352 (N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2...) Show SMILES Cc1nnc([nH]1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H22FN7O4/c1-10-23-15(27-26-10)17(31)25-20(2,3)19-24-13(14(29)18(32)28(19)4)16(30)22-9-11-5-7-12(21)8-6-11/h5-8,29H,9H2,1-4H3,(H,22,30)(H,25,31)(H,23,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544341 (CHEMBL4647797) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Mus musculus (Mouse))	BDBM50274649 (CHEMBL4129600 | US10858355, Example 30) Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C20H24N4O4S2/c1-10-18(29-20(22-10)23-12(3)25)14-7-15-9-24(11(2)13-5-6-13)19(26)17(15)16(8-14)30(27,28)21-4/h7-8,11,13,21H,5-6,9H2,1-4H3,(H,22,23,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22676 (Bicyclic pyrimidinone, 12b | N-[(4-fluorophenyl)me...) Show SMILES Oc1c(nc2CCCCn2c1=O)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H16FN3O3/c17-11-6-4-10(5-7-11)9-18-15(22)13-14(21)16(23)20-8-2-1-3-12(20)19-13/h4-7,21H,1-3,8-9H2,(H,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22696 ((9S)-9-[(dimethylsulfamoyl)(methyl)amino]-N-[(4-fl...) Show SMILES CN(C)S(=O)(=O)N(C)[C@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r| Show InChI InChI=1S/C19H24FN5O5S/c1-23(2)31(29,30)24(3)14-5-4-10-25-17(14)22-15(16(26)19(25)28)18(27)21-11-12-6-8-13(20)9-7-12/h6-9,14,26H,4-5,10-11H2,1-3H3,(H,21,27)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22694 (9-[(dimethylsulfamoyl)(methyl)amino]-N-[(4-fluorop...) Show SMILES CN(C)S(=O)(=O)N(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O Show InChI InChI=1S/C19H24FN5O5S/c1-23(2)31(29,30)24(3)14-5-4-10-25-17(14)22-15(16(26)19(25)28)18(27)21-11-12-6-8-13(20)9-7-12/h6-9,14,26H,4-5,10-11H2,1-3H3,(H,21,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544340 (CHEMBL4637980) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22671 (Bicyclic pyrimidinone, 10b | N-[(4-fluorophenyl)me...) Show SMILES Oc1c(nc2C(CCCn2c1=O)N1CCOCC1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H23FN4O4/c21-14-5-3-13(4-6-14)12-22-19(27)16-17(26)20(28)25-7-1-2-15(18(25)23-16)24-8-10-29-11-9-24/h3-6,15,26H,1-2,7-12H2,(H,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544341 (CHEMBL4647797) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544340 (CHEMBL4637980) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22687 (Bicyclic pyrimidinone, 18b | N-[(4-fluorophenyl)me...) Show SMILES CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(=O)CS(C)(=O)=O Show InChI InChI=1S/C20H23FN4O6S/c1-24(15(26)11-32(2,30)31)14-4-3-9-25-18(14)23-16(17(27)20(25)29)19(28)22-10-12-5-7-13(21)8-6-12/h5-8,14,27H,3-4,9-11H2,1-2H3,(H,22,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM22638 (2-(4-acetyl-1-methylpiperazin-2-yl)-N-[(4-fluoroph...) Show SMILES CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(C)=O Show InChI InChI=1S/C20H24FN5O4/c1-12(27)26-9-8-24(2)15(11-26)18-23-16(17(28)20(30)25(18)3)19(29)22-10-13-4-6-14(21)7-5-13/h4-7,15,28H,8-11H2,1-3H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22679 (Bicyclic pyrimidinone, 13b | N-[(4-fluorophenyl)me...) Show SMILES CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(C)=O Show InChI InChI=1S/C19H21FN4O4/c1-11(25)23(2)14-4-3-9-24-17(14)22-15(16(26)19(24)28)18(27)21-10-12-5-7-13(20)8-6-12/h5-8,14,26H,3-4,9-10H2,1-2H3,(H,21,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22699 (Bicyclic pyrimidinone, 23c | N-[(4-fluorophenyl)me...) Show SMILES CN1CCCN(C2CCCCn3c2nc(C(=O)NCc2ccc(F)cc2)c(O)c3=O)S1(=O)=O Show InChI InChI=1S/C21H26FN5O5S/c1-25-10-4-12-27(33(25,31)32)16-5-2-3-11-26-19(16)24-17(18(28)21(26)30)20(29)23-13-14-6-8-15(22)9-7-14/h6-9,16,28H,2-5,10-13H2,1H3,(H,23,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25350 (N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-(1H-imid...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1cnc[nH]1 Show InChI InChI=1S/C20H21FN6O4/c1-20(2,26-16(29)13-9-22-10-24-13)19-25-14(15(28)18(31)27(19)3)17(30)23-8-11-4-6-12(21)7-5-11/h4-7,9-10,28H,8H2,1-3H3,(H,22,24)(H,23,30)(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274656 (CHEMBL4128652) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C20H20N4O/c1-11-7-14(17-9-22-19-16(23-17)5-6-21-19)8-15-10-24(20(25)18(11)15)12(2)13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Mus musculus (Mouse))	BDBM50274640 (CHEMBL4126445) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Mus musculus (Mouse))	BDBM50274641 (CHEMBL4126010 | US10858355, Example 27) Show SMILES COCCS(=O)(=O)Nc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C22H28N4O5S2/c1-12-20(32-22(23-12)24-14(3)27)16-9-17-11-26(13(2)15-5-6-15)21(28)19(17)18(10-16)25-33(29,30)8-7-31-4/h9-10,13,15,25H,5-8,11H2,1-4H3,(H,23,24,27)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Mus musculus (Mouse))	BDBM50274675 (CHEMBL4126601) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C19H20ClN3O2S/c1-9-17(26-19(21-9)22-11(3)24)13-6-14-8-23(10(2)12-4-5-12)18(25)16(14)15(20)7-13/h6-7,10,12H,4-5,8H2,1-3H3,(H,21,22,24)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a...				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22644 (2-[4-(benzenesulfonyl)-1-methylpiperazin-2-yl]-N-[...) Show SMILES CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H26FN5O5S/c1-28-12-13-30(36(34,35)18-6-4-3-5-7-18)15-19(28)22-27-20(21(31)24(33)29(22)2)23(32)26-14-16-8-10-17(25)11-9-16/h3-11,19,31H,12-15H2,1-2H3,(H,26,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22666 (8-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hyd...) Show SMILES CN(C)C1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O Show InChI InChI=1S/C17H19FN4O3/c1-21(2)12-7-8-22-15(12)20-13(14(23)17(22)25)16(24)19-9-10-3-5-11(18)6-4-10/h3-6,12,23H,7-9H2,1-2H3,(H,19,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22685 ((9R)-9-[2-(dimethylsulfamoyl)-N-methylacetamido]-N...) Show SMILES CN(C)S(=O)(=O)CC(=O)N(C)[C@@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r| Show InChI InChI=1S/C21H26FN5O6S/c1-25(2)34(32,33)12-16(28)26(3)15-5-4-10-27-19(15)24-17(18(29)21(27)31)20(30)23-11-13-6-8-14(22)9-7-13/h6-9,15,29H,4-5,10-12H2,1-3H3,(H,23,30)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22686 ((9S)-9-[2-(dimethylsulfamoyl)-N-methylacetamido]-N...) Show SMILES CN(C)S(=O)(=O)CC(=O)N(C)[C@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r| Show InChI InChI=1S/C21H26FN5O6S/c1-25(2)34(32,33)12-16(28)26(3)15-5-4-10-27-19(15)24-17(18(29)21(27)31)20(30)23-11-13-6-8-14(22)9-7-13/h6-9,15,29H,4-5,10-12H2,1-3H3,(H,23,30)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.8	37
IRBM-MRL					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 861-74 (2008) Article DOI: 10.1021/jm701164t BindingDB Entry DOI: 10.7270/Q2765CNT
					More data for this Ligand-Target Pair

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