Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'fung' and Initial = 'w'   

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
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	-49.0	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM249277 (US10017501, Compound 1020-18 | US9458145, 1020-18) Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	-47.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM249277 (US10017501, Compound 1020-18 | US9458145, 1020-18) Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM249277 (US10017501, Compound 1020-18 | US9458145, 1020-18) Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	385	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	>-34.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	>-34.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+3	-30.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.13E+3	-30.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Histamine H1 receptor (Mus musculus (mouse))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-28.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538456 (CHEMBL4649800) Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C25H26N8/c1-2-31-11-13-32(14-12-31)21-7-5-20(6-8-21)28-24-25-26-9-10-33(25)17-23(29-24)18-3-4-19-16-27-30-22(19)15-18/h3-10,15-17H,2,11-14H2,1H3,(H,27,30)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538457 (CHEMBL4638089) Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C26H28N8O/c1-35-15-14-32-10-12-33(13-11-32)22-6-4-21(5-7-22)29-25-26-27-8-9-34(26)18-24(30-25)19-2-3-20-17-28-31-23(20)16-19/h2-9,16-18H,10-15H2,1H3,(H,28,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538455 (CHEMBL4637943) Show SMILES CN(C)C[C@@H]1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 |r| Show InChI InChI=1S/C26H28N8O/c1-32(2)15-22-16-33(11-12-35-22)21-7-5-20(6-8-21)29-25-26-27-9-10-34(26)17-24(30-25)18-3-4-19-14-28-31-23(19)13-18/h3-10,13-14,17,22H,11-12,15-16H2,1-2H3,(H,28,31)(H,29,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538454 (CHEMBL4643354) Show SMILES OC[C@H]1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 |r| Show InChI InChI=1S/C24H23N7O2/c32-15-20-13-30(9-10-33-20)19-5-3-18(4-6-19)27-23-24-25-7-8-31(24)14-22(28-23)16-1-2-17-12-26-29-21(17)11-16/h1-8,11-12,14,20,32H,9-10,13,15H2,(H,26,29)(H,27,28)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538453 (CHEMBL4647927) Show SMILES OC1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C24H23N7O/c32-20-7-10-30(11-8-20)19-5-3-18(4-6-19)27-23-24-25-9-12-31(24)15-22(28-23)16-1-2-17-14-26-29-21(17)13-16/h1-6,9,12-15,20,32H,7-8,10-11H2,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538469 (CHEMBL4643695) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3cc[nH]c3n2)cc1 Show InChI InChI=1S/C25H25N9O/c1-3-18(32-9-11-33(12-10-32)19-15-35-16-19)4-2-17(1)29-24-25-27-7-8-34(25)14-22(31-24)21-13-28-20-5-6-26-23(20)30-21/h1-8,13-14,19H,9-12,15-16H2,(H,26,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538460 (CHEMBL4634466) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C25H25N9O/c1-3-19(32-7-9-33(10-8-32)20-15-35-16-20)4-2-18(1)29-24-25-26-5-6-34(25)14-23(30-24)17-11-21-22(27-12-17)13-28-31-21/h1-6,11-14,20H,7-10,15-16H2,(H,28,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538461 (CHEMBL4637326) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3cn[nH]c3n2)cc1 Show InChI InChI=1S/C24H24N10O/c1-3-17(32-7-9-33(10-8-32)18-14-35-15-18)4-2-16(1)28-23-24-25-5-6-34(24)13-21(30-23)19-11-26-20-12-27-31-22(20)29-19/h1-6,11-13,18H,7-10,14-15H2,(H,28,30)(H,27,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538451 (CHEMBL4642016) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 |r| Show InChI InChI=1S/C25H25N7O/c1-16-13-32(14-17(2)33-16)21-7-5-20(6-8-21)28-24-25-26-9-10-31(25)15-23(29-24)18-3-4-19-12-27-30-22(19)11-18/h3-12,15-17H,13-14H2,1-2H3,(H,27,30)(H,28,29)/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538445 (CHEMBL4634723) Show SMILES [H][C@]12CN(c3ccc(Nc4nc(cn5ccnc45)-c4ccc5cn[nH]c5c4)cc3)[C@]([H])(CO1)C2 |r| Show InChI InChI=1S/C24H21N7O/c1-2-16-11-26-29-21(16)9-15(1)22-13-30-8-7-25-24(30)23(28-22)27-17-3-5-18(6-4-17)31-12-20-10-19(31)14-32-20/h1-9,11,13,19-20H,10,12,14H2,(H,26,29)(H,27,28)/t19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538449 (CHEMBL4633338) Show SMILES C1OCC11CN(C1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C24H21N7O/c1-2-17-10-26-29-20(17)9-16(1)21-11-30-8-7-25-23(30)22(28-21)27-18-3-5-19(6-4-18)31-12-24(13-31)14-32-15-24/h1-11H,12-15H2,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538444 (CHEMBL4640287) Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ccc(Nc3nc(cn4ccnc34)-c3ccc4cn[nH]c4c3)cc1)O2 |r| Show InChI InChI=1S/C25H23N7O/c1-2-17-12-27-30-22(17)11-16(1)23-15-31-10-9-26-25(31)24(29-23)28-18-3-5-19(6-4-18)32-13-20-7-8-21(14-32)33-20/h1-6,9-12,15,20-21H,7-8,13-14H2,(H,27,30)(H,28,29)/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM212271 (6-(6-aminopyrazin-2-yl)-N-(4-(4-(oxetan-3-yl)piper...) Show SMILES Nc1cncc(n1)-c1cn2ccnc2c(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1 Show InChI InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538459 (CHEMBL4644977) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3n2)cc1 Show InChI InChI=1S/C25H25N9O/c1-6-21(29-23-17(1)13-27-31-23)22-14-34-8-7-26-25(34)24(30-22)28-18-2-4-19(5-3-18)32-9-11-33(12-10-32)20-15-35-16-20/h1-8,13-14,20H,9-12,15-16H2,(H,28,30)(H,27,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538468 (CHEMBL4640138) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3cc[nH]c3c2)cc1 Show InChI InChI=1S/C26H26N8O/c1-3-20(32-9-11-33(12-10-32)21-16-35-17-21)4-2-19(1)30-25-26-28-7-8-34(26)15-24(31-25)18-13-23-22(29-14-18)5-6-27-23/h1-8,13-15,21,27H,9-12,16-17H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538473 (CHEMBL4633180) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3OCCNc3n2)cc1 Show InChI InChI=1S/C25H27N9O2/c1-3-18(32-8-10-33(11-9-32)19-15-35-16-19)4-2-17(1)29-22-24-27-5-7-34(24)14-21(31-22)20-13-28-25-23(30-20)26-6-12-36-25/h1-5,7,13-14,19H,6,8-12,15-16H2,(H,26,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538472 (CHEMBL4636843) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3OCCNc3c2)cc1 Show InChI InChI=1S/C26H28N8O2/c1-3-20(32-8-10-33(11-9-32)21-16-35-17-21)4-2-19(1)30-24-25-28-5-7-34(25)15-23(31-24)18-13-22-26(29-14-18)36-12-6-27-22/h1-5,7,13-15,21,27H,6,8-12,16-17H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538448 (CHEMBL4643774) Show SMILES C1N(CC11CCOCC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C26H25N7O/c1-2-19-14-28-31-22(19)13-18(1)23-15-32-10-9-27-25(32)24(30-23)29-20-3-5-21(6-4-20)33-16-26(17-33)7-11-34-12-8-26/h1-6,9-10,13-15H,7-8,11-12,16-17H2,(H,28,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538458 (CHEMBL4634721) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C26H26N8O/c1-2-19-14-28-31-23(19)13-18(1)24-15-34-8-7-27-26(34)25(30-24)29-20-3-5-21(6-4-20)32-9-11-33(12-10-32)22-16-35-17-22/h1-8,13-15,22H,9-12,16-17H2,(H,28,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538450 (CHEMBL4637020) Show SMILES C1OCC2CN(CC12)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C25H23N7O/c1-2-17-10-27-30-22(17)9-16(1)23-13-31-8-7-26-25(31)24(29-23)28-20-3-5-21(6-4-20)32-11-18-14-33-15-19(18)12-32/h1-10,13,18-19H,11-12,14-15H2,(H,27,30)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538452 (CHEMBL4633153) Show SMILES OC1CN(C1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C22H19N7O/c30-18-11-29(12-18)17-5-3-16(4-6-17)25-21-22-23-7-8-28(22)13-20(26-21)14-1-2-15-10-24-27-19(15)9-14/h1-10,13,18,30H,11-12H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538467 (CHEMBL4641358) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cc[nH]c3n2)cc1 Show InChI InChI=1S/C26H26N8O/c1-6-22(30-24-18(1)7-8-27-24)23-15-34-10-9-28-26(34)25(31-23)29-19-2-4-20(5-3-19)32-11-13-33(14-12-32)21-16-35-17-21/h1-10,15,21H,11-14,16-17H2,(H,27,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538465 (CHEMBL4645149) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3nc[nH]c3n2)cc1 Show InChI InChI=1S/C24H24N10O/c1-3-17(32-7-9-33(10-8-32)18-13-35-14-18)4-2-16(1)29-23-24-25-5-6-34(24)12-20(31-23)19-11-26-21-22(30-19)28-15-27-21/h1-6,11-12,15,18H,7-10,13-14H2,(H,29,31)(H,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538464 (CHEMBL4649107) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2cnc3nc[nH]c3c2)cc1 Show InChI InChI=1S/C25H25N9O/c1-3-19(32-7-9-33(10-8-32)20-14-35-15-20)4-2-18(1)30-24-25-26-5-6-34(25)13-22(31-24)17-11-21-23(27-12-17)29-16-28-21/h1-6,11-13,16,20H,7-10,14-15H2,(H,30,31)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538446 (CHEMBL4642075) Show SMILES [H][C@]12COC[C@]([H])(COC1)N2c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 |r| Show InChI InChI=1S/C25H23N7O2/c1-2-17-10-27-30-22(17)9-16(1)23-11-31-8-7-26-25(31)24(29-23)28-18-3-5-19(6-4-18)32-20-12-33-14-21(32)15-34-13-20/h1-11,20-21H,12-15H2,(H,27,30)(H,28,29)/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538466 (CHEMBL4648053) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cc[nH]c3c2)cc1 Show InChI InChI=1S/C27H27N7O/c1-2-20(15-24-19(1)7-8-28-24)25-16-34-10-9-29-27(34)26(31-25)30-21-3-5-22(6-4-21)32-11-13-33(14-12-32)23-17-35-18-23/h1-10,15-16,23,28H,11-14,17-18H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538462 (CHEMBL4635157) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3nc[nH]c3c2)cc1 Show InChI InChI=1S/C26H26N8O/c1-6-22-23(29-17-28-22)13-18(1)24-14-34-8-7-27-26(34)25(31-24)30-19-2-4-20(5-3-19)32-9-11-33(12-10-32)21-15-35-16-21/h1-8,13-14,17,21H,9-12,15-16H2,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015448 (CHEMBL3265032) Show SMILES C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50015449 (CHEMBL3265033) Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1 Show InChI InChI=1S/C23H21N7O2S/c31-33(32)11-9-29(10-12-33)19-5-3-18(4-6-19)26-22-23-24-7-8-30(23)15-21(27-22)16-1-2-17-14-25-28-20(17)13-16/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538470 (CHEMBL4645344) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3OCCNc3c2)cc1 Show InChI InChI=1S/C27H29N7O2/c1-6-25-23(28-8-14-36-25)15-19(1)24-16-34-9-7-29-27(34)26(31-24)30-20-2-4-21(5-3-20)32-10-12-33(13-11-32)22-17-35-18-22/h1-7,9,15-16,22,28H,8,10-14,17-18H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538476 (CHEMBL4649400) Show SMILES Nc1cncc(c1)-c1cn2ccnc2c(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1 Show InChI InChI=1S/C24H26N8O/c25-18-11-17(12-26-13-18)22-14-32-6-5-27-24(32)23(29-22)28-19-1-3-20(4-2-19)30-7-9-31(10-8-30)21-15-33-16-21/h1-6,11-14,21H,7-10,15-16,25H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538463 (CHEMBL4647318) Show SMILES C1OCC1N1CCN(CC1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3nc[nH]c3n2)cc1 Show InChI InChI=1S/C25H25N9O/c1-3-18(32-9-11-33(12-10-32)19-14-35-15-19)4-2-17(1)29-24-25-26-7-8-34(25)13-22(31-24)20-5-6-21-23(30-20)28-16-27-21/h1-8,13,16,19H,9-12,14-15H2,(H,29,31)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50538475 (CHEMBL4641986) Show SMILES Nc1cccc(n1)-c1cn2ccnc2c(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1 Show InChI InChI=1S/C24H26N8O/c25-22-3-1-2-20(28-22)21-14-32-9-8-26-24(32)23(29-21)27-17-4-6-18(7-5-17)30-10-12-31(13-11-30)19-15-33-16-19/h1-9,14,19H,10-13,15-16H2,(H2,25,28)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay				ACS Med Chem Lett 11: 506-513 (2020) Article DOI: 10.1021/acsmedchemlett.9b00621 BindingDB Entry DOI: 10.7270/Q2ZG6WR1
					More data for this Ligand-Target Pair

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