Compile Data Set for Download or QSAR

Found 320 hits with Last Name = 'qiu' and Initial = 'q'   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0350	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST or His-tagged VEGFR2 using poly (Glu, Tyr) as substrate by AlphaScreen assay				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 ...				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01451 BindingDB Entry DOI: 10.7270/Q2C53QPJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2...				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST or His-tagged c-Met using poly (Glu, Tyr) as substrate by luciferase coupled chemiluminescence assay				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114231 BindingDB Entry DOI: 10.7270/Q2G73JTW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50211733 (1-{4-[(3-chlorophenyl)amino-6-quinazolinyl}-3-{2-[...) Show SMILES CN(CCCl)CCN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 |w:8.8| Show InChI InChI=1S/C19H21Cl2N7/c1-28(9-7-20)10-8-24-27-26-16-5-6-18-17(12-16)19(23-13-22-18)25-15-4-2-3-14(21)11-15/h2-6,11-13H,7-10H2,1H3,(H,24,26)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase expressed in A431 cells				J Med Chem 50: 2605-8 (2007) Article DOI: 10.1021/jm070144p BindingDB Entry DOI: 10.7270/Q24F1QDS
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC6 (unknown origin) using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01451 BindingDB Entry DOI: 10.7270/Q2C53QPJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114231 BindingDB Entry DOI: 10.7270/Q2G73JTW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114231 BindingDB Entry DOI: 10.7270/Q2G73JTW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50211735 (1-{4-[(3-chlorophenyl)amino-6-quinazolinyl}-3-(2-N...) Show SMILES CN(C)CCN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 |w:6.6| Show InChI InChI=1S/C18H20ClN7/c1-26(2)9-8-22-25-24-15-6-7-17-16(11-15)18(21-12-20-17)23-14-5-3-4-13(19)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase expressed in A431 cells				J Med Chem 50: 2605-8 (2007) Article DOI: 10.1021/jm070144p BindingDB Entry DOI: 10.7270/Q24F1QDS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	37
McGill University/Royal Victoria Hospital					Assay Description EGFR kinase assay was perform using Nunc MaxiSorp purchased from Nalge Nunc Interantional.				Chem Biol Drug Des 71: 374-9 (2008) Article DOI: 10.1111/j.1747-0285.2008.00638.x BindingDB Entry DOI: 10.7270/Q29P303S
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50211736 (1-{4-[(3-chlorophenyl)amino-6-quinazolinyl}-3-{2-[...) Show SMILES ClCCN(CCN=NNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)Cc1ccccc1 |w:7.7| Show InChI InChI=1S/C25H25Cl2N7/c26-11-13-34(17-19-5-2-1-3-6-19)14-12-30-33-32-22-9-10-24-23(16-22)25(29-18-28-24)31-21-8-4-7-20(27)15-21/h1-10,15-16,18H,11-14,17H2,(H,30,32)(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase expressed in A431 cells				J Med Chem 50: 2605-8 (2007) Article DOI: 10.1021/jm070144p BindingDB Entry DOI: 10.7270/Q24F1QDS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544173 (CHEMBL4642676) Show SMILES COc1ccc2-c3c(sc(=O)n3C)C(CC(=O)NC3CCCC3)N=C(c3ccc(Cl)cc3)c2c1 |t:25| Show InChI InChI=1S/C26H26ClN3O3S/c1-30-24-19-12-11-18(33-2)13-20(19)23(15-7-9-16(27)10-8-15)29-21(25(24)34-26(30)32)14-22(31)28-17-5-3-4-6-17/h7-13,17,21H,3-6,14H2,1-2H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM81727 (Bis-quinazolinotriazene, 5b) Show SMILES CN(CCN(CCN(C)\N=N\c1ccc2ncnc(Nc3cccc(Br)c3)c2c1)CCN1CCOCC1)\N=N\c1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C40H44Br2N14O/c1-53(51-49-33-9-11-37-35(25-33)39(45-27-43-37)47-31-7-3-5-29(41)23-31)13-15-55(17-18-56-19-21-57-22-20-56)16-14-54(2)52-50-34-10-12-38-36(26-34)40(46-28-44-38)48-32-8-4-6-30(42)24-32/h3-12,23-28H,13-22H2,1-2H3,(H,43,45,47)(H,44,46,48)/b51-49+,52-50+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	37
McGill University/Royal Victoria Hospital					Assay Description EGFR kinase assay was perform using Nunc MaxiSorp purchased from Nalge Nunc Interantional.				Chem Biol Drug Des 71: 374-9 (2008) Article DOI: 10.1111/j.1747-0285.2008.00638.x BindingDB Entry DOI: 10.7270/Q29P303S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177048 (CHEMBL3814321) Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(F)cc2)cc1F Show InChI InChI=1S/C23H20F2N6O4/c1-34-29-11-16-19(26)27-12-28-20(16)35-18-7-6-15(10-17(18)25)31-22(33)23(8-9-23)21(32)30-14-4-2-13(24)3-5-14/h2-7,10-12H,8-9H2,1H3,(H,30,32)(H,31,33)(H2,26,27,28)/b29-11+	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	120	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177047 (CHEMBL3814311) Show SMILES Nc1ncnc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)c1\C=N\O Show InChI InChI=1S/C22H18F2N6O4/c23-12-1-3-13(4-2-12)29-20(31)22(7-8-22)21(32)30-14-5-6-17(16(24)9-14)34-19-15(10-28-33)18(25)26-11-27-19/h1-6,9-11,33H,7-8H2,(H,29,31)(H,30,32)(H2,25,26,27)/b28-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544172 (CHEMBL4644955) Show SMILES COc1ccc2-c3c(sc(=O)n3C)C(CC(=O)NC3CC3)N=C(c3ccc(Cl)cc3)c2c1 |t:23| Show InChI InChI=1S/C24H22ClN3O3S/c1-28-22-17-10-9-16(31-2)11-18(17)21(13-3-5-14(25)6-4-13)27-19(23(22)32-24(28)30)12-20(29)26-15-7-8-15/h3-6,9-11,15,19H,7-8,12H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM12318 (6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]...) Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C14H13N5O2/c1-20-19-7-11-13(15)17-8-18-14(11)21-10-2-3-12-9(6-10)4-5-16-12/h2-8,16H,1H3,(H2,15,17,18)/b19-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM81728 (Bis-quinazolinotriazene, 5c) Show SMILES CN(CCN(CCN(C)\N=N\c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)CCN1CCOCC1)\N=N\c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C40H44Cl2N14O/c1-53(51-49-33-9-11-37-35(25-33)39(45-27-43-37)47-31-7-3-5-29(41)23-31)13-15-55(17-18-56-19-21-57-22-20-56)16-14-54(2)52-50-34-10-12-38-36(26-34)40(46-28-44-38)48-32-8-4-6-30(42)24-32/h3-12,23-28H,13-22H2,1-2H3,(H,43,45,47)(H,44,46,48)/b51-49+,52-50+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	37
McGill University/Royal Victoria Hospital					Assay Description EGFR kinase assay was perform using Nunc MaxiSorp purchased from Nalge Nunc Interantional.				Chem Biol Drug Des 71: 374-9 (2008) Article DOI: 10.1111/j.1747-0285.2008.00638.x BindingDB Entry DOI: 10.7270/Q29P303S
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544177 (CHEMBL4643798) Show SMILES COc1ccc2-c3c(sc(=O)n3C)C(CC(=O)NC(C)(C)C)N=C(c3ccc(Cl)cc3)c2c1 |t:23| Show InChI InChI=1S/C25H26ClN3O3S/c1-25(2,3)28-20(30)13-19-23-22(29(4)24(31)33-23)17-11-10-16(32-5)12-18(17)21(27-19)14-6-8-15(26)9-7-14/h6-12,19H,13H2,1-5H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177113 (CHEMBL3815128) Show SMILES CN(C)CCCO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(F)cc2)cc1F Show InChI InChI=1S/C27H29F2N7O4/c1-36(2)12-3-13-39-33-15-20-23(30)31-16-32-24(20)40-22-9-8-19(14-21(22)29)35-26(38)27(10-11-27)25(37)34-18-6-4-17(28)5-7-18/h4-9,14-16H,3,10-13H2,1-2H3,(H,34,37)(H,35,38)(H2,30,31,32)/b33-15+	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	170	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50566604 (CHEMBL4856923) Show SMILES COc1cc2CCN(CCNC(=O)c3ccc(C)c(Nc4nccc(n4)-c4ccco4)c3)Cc2cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 20 uM by measur...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00246 BindingDB Entry DOI: 10.7270/Q29Z98N9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50133382 (Anilinoquinazoline, 4c | CHEMBL343352 | N*4*-(3-Ch...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	37
McGill University/Royal Victoria Hospital					Assay Description EGFR kinase assay was perform using Nunc MaxiSorp purchased from Nalge Nunc Interantional.				Chem Biol Drug Des 71: 374-9 (2008) Article DOI: 10.1111/j.1747-0285.2008.00638.x BindingDB Entry DOI: 10.7270/Q29P303S
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50133382 (Anilinoquinazoline, 4c | CHEMBL343352 | N*4*-(3-Ch...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C14H11ClN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase expressed in A431 cells				J Med Chem 50: 2605-8 (2007) Article DOI: 10.1021/jm070144p BindingDB Entry DOI: 10.7270/Q24F1QDS
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544174 (CHEMBL4634197) Show SMILES COc1ccc2-c3c(sc(=O)n3C)C(CC(=O)Nc3ccccc3)N=C(c3ccc(Cl)cc3)c2c1 |t:26| Show InChI InChI=1S/C27H22ClN3O3S/c1-31-25-20-13-12-19(34-2)14-21(20)24(16-8-10-17(28)11-9-16)30-22(26(25)35-27(31)33)15-23(32)29-18-6-4-3-5-7-18/h3-14,22H,15H2,1-2H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544176 (CHEMBL4647080) Show SMILES COc1ccc2-c3c(sc(=O)n3C)C(CC(=O)NCC#C)N=C(c3ccc(Cl)cc3)c2c1 |t:22| Show InChI InChI=1S/C24H20ClN3O3S/c1-4-11-26-20(29)13-19-23-22(28(2)24(30)32-23)17-10-9-16(31-3)12-18(17)21(27-19)14-5-7-15(25)8-6-14/h1,5-10,12,19H,11,13H2,2-3H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50177113 (CHEMBL3815128) Show SMILES CN(C)CCCO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(F)cc2)cc1F Show InChI InChI=1S/C27H29F2N7O4/c1-36(2)12-3-13-39-33-15-20-23(30)31-16-32-24(20)40-22-9-8-19(14-21(22)29)35-26(38)27(10-11-27)25(37)34-18-6-4-17(28)5-7-18/h4-9,14-16H,3,10-13H2,1-2H3,(H,34,37)(H,35,38)(H2,30,31,32)/b33-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177116 (CHEMBL3814710) Show SMILES Nc1ncnc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)c1\C=N\OCCCN1CCOCC1 Show InChI InChI=1S/C29H31F2N7O5/c30-19-2-4-20(5-3-19)36-27(39)29(8-9-29)28(40)37-21-6-7-24(23(31)16-21)43-26-22(25(32)33-18-34-26)17-35-42-13-1-10-38-11-14-41-15-12-38/h2-7,16-18H,1,8-15H2,(H,36,39)(H,37,40)(H2,32,33,34)/b35-17+	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	220	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50177050 (CHEMBL3815081) Show SMILES Nc1ncnc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)c1\C=N\OCCN1CCCC1 Show InChI InChI=1S/C28H29F2N7O4/c29-18-3-5-19(6-4-18)35-26(38)28(9-10-28)27(39)36-20-7-8-23(22(30)15-20)41-25-21(24(31)32-17-33-25)16-34-40-14-13-37-11-1-2-12-37/h3-8,15-17H,1-2,9-14H2,(H,35,38)(H,36,39)(H2,31,32,33)/b34-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177050 (CHEMBL3815081) Show SMILES Nc1ncnc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)c1\C=N\OCCN1CCCC1 Show InChI InChI=1S/C28H29F2N7O4/c29-18-3-5-19(6-4-18)35-26(38)28(9-10-28)27(39)36-20-7-8-23(22(30)15-20)41-25-21(24(31)32-17-33-25)16-34-40-14-13-37-11-1-2-12-37/h3-8,15-17H,1-2,9-14H2,(H,35,38)(H,36,39)(H2,31,32,33)/b34-16+	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	250	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50177047 (CHEMBL3814311) Show SMILES Nc1ncnc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)c1\C=N\O Show InChI InChI=1S/C22H18F2N6O4/c23-12-1-3-13(4-2-12)29-20(31)22(7-8-22)21(32)30-14-5-6-17(16(24)9-14)34-19-15(10-28-33)18(25)26-11-27-19/h1-6,9-11,33H,7-8H2,(H,29,31)(H,30,32)(H2,25,26,27)/b28-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50177049 (CHEMBL3813791) Show SMILES Nc1ncnc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)c1\C=N\OCCCO Show InChI InChI=1S/C25H24F2N6O5/c26-15-2-4-16(5-3-15)32-23(35)25(8-9-25)24(36)33-17-6-7-20(19(27)12-17)38-22-18(21(28)29-14-30-22)13-31-37-11-1-10-34/h2-7,12-14,34H,1,8-11H2,(H,32,35)(H,33,36)(H2,28,29,30)/b31-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
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	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50177115 (CHEMBL3814828) Show SMILES Nc1ncnc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)c1\C=N\OCCCN1CCCC1 Show InChI InChI=1S/C29H31F2N7O4/c30-19-4-6-20(7-5-19)36-27(39)29(10-11-29)28(40)37-21-8-9-24(23(31)16-21)42-26-22(25(32)33-18-34-26)17-35-41-15-3-14-38-12-1-2-13-38/h4-9,16-18H,1-3,10-15H2,(H,36,39)(H,37,40)(H2,32,33,34)/b35-17+	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	340	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50177048 (CHEMBL3814321) Show SMILES CO\N=C\c1c(N)ncnc1Oc1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(F)cc2)cc1F Show InChI InChI=1S/C23H20F2N6O4/c1-34-29-11-16-19(26)27-12-28-20(16)35-18-7-6-15(10-17(18)25)31-22(33)23(8-9-23)21(32)30-14-4-2-13(24)3-5-14/h2-7,10-12H,8-9H2,1H3,(H,30,32)(H,31,33)(H2,26,27,28)/b29-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50538591 (CHEMBL4648775) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5ccc(cc5)-c5cccnc5)nc4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H36N4O4/c1-44-35-22-30-18-21-42(26-32(30)23-36(35)45-2)20-17-27-5-11-33(12-6-27)41-37(43)15-7-28-8-16-38(40-24-28)46-34-13-9-29(10-14-34)31-4-3-19-39-25-31/h3-16,19,22-25H,17-18,20-21,26H2,1-2H3,(H,41,43)/b15-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences & Peking Union Medical College Curated by ChEMBL					Assay Description Reversal of Pgp-mediated DOX resistance in human SW620/AD300 cells assessed as potentiation of DOX-induced cytotoxicity by measuring DOX IC50 at 1 uM...				J Med Chem 63: 5458-5476 (2020) Article DOI: 10.1021/acs.jmedchem.0c00337 BindingDB Entry DOI: 10.7270/Q2ST7TCJ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50566604 (CHEMBL4856923) Show SMILES COc1cc2CCN(CCNC(=O)c3ccc(C)c(Nc4nccc(n4)-c4ccco4)c3)Cc2cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 5 uM by measuri...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00246 BindingDB Entry DOI: 10.7270/Q29Z98N9
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50177116 (CHEMBL3814710) Show SMILES Nc1ncnc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)c1\C=N\OCCCN1CCOCC1 Show InChI InChI=1S/C29H31F2N7O5/c30-19-2-4-20(5-3-19)36-27(39)29(8-9-29)28(40)37-21-6-7-24(23(31)16-21)43-26-22(25(32)33-18-34-26)17-35-42-13-1-10-38-11-14-41-15-12-38/h2-7,16-18H,1,8-15H2,(H,36,39)(H,37,40)(H2,32,33,34)/b35-17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA				Bioorg Med Chem 24: 3353-8 (2016) Article DOI: 10.1016/j.bmc.2016.03.061 BindingDB Entry DOI: 10.7270/Q28W3G6P
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544166 (CHEMBL4637203) Show SMILES CCOC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2c1sc(=O)n2C |t:7| Show InChI InChI=1S/C23H21ClN2O4S/c1-4-30-19(27)12-18-22-21(26(2)23(28)31-22)16-10-9-15(29-3)11-17(16)20(25-18)13-5-7-14(24)8-6-13/h5-11,18H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544171 (CHEMBL4637124) Show SMILES COc1ccc2-c3c(sc(=O)n3C)C(CC(=O)N3CCCCC3)N=C(c3ccc(Cl)cc3)c2c1 |t:25| Show InChI InChI=1S/C26H26ClN3O3S/c1-29-24-19-11-10-18(33-2)14-20(19)23(16-6-8-17(27)9-7-16)28-21(25(24)34-26(29)32)15-22(31)30-12-4-3-5-13-30/h6-11,14,21H,3-5,12-13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 5 uM by measuri...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00246 BindingDB Entry DOI: 10.7270/Q29Z98N9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544180 (CHEMBL4643963) Show SMILES CCOC(=O)CC1OC(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2c1sc(=O)n2C Show InChI InChI=1S/C23H22ClNO5S/c1-4-29-19(26)12-18-22-20(25(2)23(27)31-22)16-10-9-15(28-3)11-17(16)21(30-18)13-5-7-14(24)8-6-13/h5-11,18,21H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544169 (CHEMBL4633574) Show SMILES COc1ccc2-c3c(sc(=O)n3C)C(CC(=O)N3CCOCC3)N=C(c3ccc(Cl)cc3)c2c1 |t:25| Show InChI InChI=1S/C25H24ClN3O4S/c1-28-23-18-8-7-17(32-2)13-19(18)22(15-3-5-16(26)6-4-15)27-20(24(23)34-25(28)31)14-21(30)29-9-11-33-12-10-29/h3-8,13,20H,9-12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50538602 (CHEMBL4641044) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5ccc(c(C)c5)-c5ccccn5)nc4)cc3)Cc2cc1OC Show InChI InChI=1S/C39H38N4O4/c1-27-22-33(13-14-34(27)35-6-4-5-19-40-35)47-39-16-10-29(25-41-39)9-15-38(44)42-32-11-7-28(8-12-32)17-20-43-21-18-30-23-36(45-2)37(46-3)24-31(30)26-43/h4-16,19,22-25H,17-18,20-21,26H2,1-3H3,(H,42,44)/b15-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences & Peking Union Medical College Curated by ChEMBL					Assay Description Reversal of Pgp-mediated DOX resistance in human SW620/AD300 cells assessed as potentiation of DOX-induced cytotoxicity by measuring DOX IC50 at 1 uM...				J Med Chem 63: 5458-5476 (2020) Article DOI: 10.1021/acs.jmedchem.0c00337 BindingDB Entry DOI: 10.7270/Q2ST7TCJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50544178 (CHEMBL4648049) Show SMILES COc1ccc2-c3c(sc(=O)n3C)C(CC(=O)Nc3ccc(O)cc3)N=C(c3ccc(Cl)cc3)c2c1 |t:27| Show InChI InChI=1S/C27H22ClN3O4S/c1-31-25-20-12-11-19(35-2)13-21(20)24(15-3-5-16(28)6-4-15)30-22(26(25)36-27(31)34)14-23(33)29-17-7-9-18(32)10-8-17/h3-13,22,32H,14H2,1-2H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Esche...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115601 BindingDB Entry DOI: 10.7270/Q2DJ5K6G
					More data for this Ligand-Target Pair

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