Compile Data Set for Download or QSAR

Found 617 hits with Last Name = 'xu' and Initial = 'xl'   

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
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...				Bioorg Med Chem 24: 6102-6108 (2016) Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50353128 (CHEMBL1231795) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Competitive inhibition of G9a (unknown origin) by Morrison plot analysis in presence of histone H3 (1 to 25 residues)				Bioorg Med Chem 24: 6102-6108 (2016) Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM126083 (US8779142, 102) Show SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to recombinant human HSP90beta expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-...				J Med Chem 63: 1798-1822 (2020) Article DOI: 10.1021/acs.jmedchem.9b00940 BindingDB Entry DOI: 10.7270/Q23X8B3C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092312 (Birabresib | MK-8628 | OTX-015) Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM126083 (US8779142, 102) Show SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)	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	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to recombinant human HSP90alpha expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin...				J Med Chem 63: 1798-1822 (2020) Article DOI: 10.1021/acs.jmedchem.9b00940 BindingDB Entry DOI: 10.7270/Q23X8B3C
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591847 (CHEMBL5194033) Show SMILES COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)c(Cl)c2)cc1 |c:14| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591847 (CHEMBL5194033) Show SMILES COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)c(Cl)c2)cc1 |c:14| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	718	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591842 (CHEMBL5169529) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccccc2[N+]([O-])=O)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591839 (CHEMBL5207039) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccccc2C)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591844 (CHEMBL5199297) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccccc2F)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591843 (CHEMBL5181938) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccccc2C(F)(F)F)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591840 (CHEMBL5202265) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2cccc(C)c2)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591841 (CHEMBL5206735) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(C)cc2)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591846 (CHEMBL5171707) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2cc(C)cc(C)c2)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591845 (CHEMBL5201196) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2cccc(C)c2C)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591837 (CHEMBL5187309) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccccc2Cl)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591838 (CHEMBL5193099) Show SMILES COc1cc(cc(O)c1OC)-c1nc(SCc2ccccc2Cl)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591832 (CHEMBL5187945) Show SMILES COc1ccc(cc1OC)-c1nc(SCc2ccccc2Cl)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591834 (CHEMBL5174621) Show SMILES COc1ccc(cc1OC)-c1nc(SCc2ccccc2Cl)ncc1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591835 (CHEMBL5180376) Show SMILES COc1ccc(cc1OC)-c1nc(SCCc2ccccc2Cl)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50356436 (CHEMBL1911584) Show SMILES Clc1ccccc1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C18H12ClN3OS/c19-15-9-5-4-8-13(15)11-24-18-21-16(12-6-2-1-3-7-12)14(10-20)17(23)22-18/h1-9H,11H2,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591836 (CHEMBL5197428) Show SMILES COc1ccc(cc1OC)-c1nc(NCc2ccccc2)[nH]c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50591833 (CHEMBL5199349) Show SMILES COc1ccc(cc1OC)-c1nc(SCc2ccccc2Cl)n(C)c(=O)c1C#N Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM126083 (US8779142, 102) Show SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal His-tagged recombinant human GRP94 expressed in Escherichia coli preincubated for 2 hrs followe...				J Med Chem 63: 1798-1822 (2020) Article DOI: 10.1021/acs.jmedchem.9b00940 BindingDB Entry DOI: 10.7270/Q23X8B3C
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM126083 (US8779142, 102) Show SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal His-tagged recombinant human TRAP1 (60 to 704 residues) expressed in Escherichia coli preincuba...				J Med Chem 63: 1798-1822 (2020) Article DOI: 10.1021/acs.jmedchem.9b00940 BindingDB Entry DOI: 10.7270/Q23X8B3C
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50164787 (CHEMBL3798088) Show SMILES CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@](C)(CCCCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C |r| Show InChI InChI=1S/C29H46N8O5/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33)/t20-,21-,22+,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid 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 fluorescence-labeled Ac-ARA peptide binding to WDR5 (unknown origin) by fluorescence polarization assay				Eur J Med Chem 124: 480-489 (2016) Article DOI: 10.1016/j.ejmech.2016.08.036 BindingDB Entry DOI: 10.7270/Q2251M6G
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50330546 (4-Furan-6-methyl-N-(4-methoxyphenyl)-4,7-dihydro-2...) Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)c3cn[nH]c3N=C2C)cc1 |c:23| Show InChI InChI=1S/C19H18N4O3/c1-11-16(19(24)22-12-5-7-13(25-2)8-6-12)17(15-4-3-9-26-15)14-10-20-23-18(14)21-11/h3-10,16-17H,1-2H3,(H,20,23)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins				Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM200723 (US9233086, 10L) Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay				Eur J Med Chem 124: 480-489 (2016) Article DOI: 10.1016/j.ejmech.2016.08.036 BindingDB Entry DOI: 10.7270/Q2251M6G
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50511088 (CHEMBL4457089) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(S)(=O)OC[C@@H]3[C@H](C[C@H]3n3cnc4c(N)n5ccnc5nc34)COP(S)(=O)O[C@H]2[C@H]1F |r| Show InChI InChI=1S/C23H26FN11O8P2S2/c24-13-16-12(42-21(13)35-8-29-15-19(35)30-22(26)32-20(15)36)6-41-44(37,46)40-5-10-9(4-39-45(38,47)43-16)3-11(10)34-7-28-14-17(25)33-2-1-27-23(33)31-18(14)34/h1-2,7-13,16,21H,3-6,25H2,(H,37,46)(H,38,47)(H3,26,30,32,36)/t9-,10-,11-,12-,13-,16-,21-,44?,45?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of wild type STING (unknown origin)				J Med Chem 63: 3785-3816 (2020) Article DOI: 10.1021/acs.jmedchem.9b01039 BindingDB Entry DOI: 10.7270/Q22B92BD
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM200723 (US9233086, 10L) Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of fluorescence-labeled Ac-ARA peptide binding to WDR5 (unknown origin) by fluorescence polarization assay				Eur J Med Chem 124: 480-489 (2016) Article DOI: 10.1016/j.ejmech.2016.08.036 BindingDB Entry DOI: 10.7270/Q2251M6G
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50330547 (4-Thiophene-6-methyl-N-(4-methoxyphenyl)-4,7-dihyd...) Show SMILES COc1ccc(NC(=O)C2C(c3cccs3)c3cn[nH]c3N=C2C)cc1 |c:23| Show InChI InChI=1S/C19H18N4O2S/c1-11-16(19(24)22-12-5-7-13(25-2)8-6-12)17(15-4-3-9-26-15)14-10-20-23-18(14)21-11/h3-10,16-17H,1-2H3,(H,20,23)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins				Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50442103 (CHEMBL2441082) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1 Show InChI InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin)				Bioorg Med Chem 24: 6102-6108 (2016) Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50510872 (CHEMBL4303404) Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |r,t:10| Show InChI InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin)				Bioorg Med Chem 24: 6102-6108 (2016) Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50208354 (CHEMBL3884329) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1 Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay				Eur J Med Chem 124: 480-489 (2016) Article DOI: 10.1016/j.ejmech.2016.08.036 BindingDB Entry DOI: 10.7270/Q2251M6G
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50208353 (CHEMBL3884726) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1 Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay				Eur J Med Chem 124: 480-489 (2016) Article DOI: 10.1016/j.ejmech.2016.08.036 BindingDB Entry DOI: 10.7270/Q2251M6G
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50510872 (CHEMBL4303404) Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |r,t:10| Show InChI InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092312 (Birabresib | MK-8628 | OTX-015) Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50005782 (ATI-13387X | ONALESPIB) Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O Show InChI InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2GQ72FH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmin (Canis familiaris)	BDBM50005782 (ATI-13387X | ONALESPIB) Show SMILES CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O Show InChI InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113604 BindingDB Entry DOI: 10.7270/Q2GQ72PN
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109368 (CHEMBL3601212) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12 Show InChI InChI=1S/C30H28N4O10S2/c1-19(35)31-21-7-11-23(12-8-21)45(41,42)33(17-29(37)38)27-15-16-28(26-6-4-3-5-25(26)27)34(18-30(39)40)46(43,44)24-13-9-22(10-14-24)32-20(2)36/h3-16H,17-18H2,1-2H3,(H,31,35)(H,32,36)(H,37,38)(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50092312 (Birabresib | MK-8628 | OTX-015) Show SMILES [H][C@@]1(CC(=O)Nc2ccc(O)cc2)N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114423 BindingDB Entry DOI: 10.7270/Q2S46WZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50353128 (CHEMBL1231795) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<15	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...				Bioorg Med Chem 24: 6102-6108 (2016) Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50300041 (7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...) Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...				Bioorg Med Chem 24: 6102-6108 (2016) Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50208355 (CHEMBL3885099) Show SMILES CC(N)C(=O)Nc1ccc(cc1)-c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1 Show InChI InChI=1S/C28H32ClFN6O2/c1-16-25(29)21(15-22(32)26(16)30)28(38)34-23-14-19(6-9-24(23)36-12-10-35(3)11-13-36)18-4-7-20(8-5-18)33-27(37)17(2)31/h4-9,14-15,17H,10-13,31-32H2,1-3H3,(H,33,37)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay				Eur J Med Chem 124: 480-489 (2016) Article DOI: 10.1016/j.ejmech.2016.08.036 BindingDB Entry DOI: 10.7270/Q2251M6G
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50555456 (CHEMBL4779990) Show SMILES COCCOc1nc2CCN(Cc2c(n1)N(C)C)C(=O)c1cc(C(C)C)c(O)cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2GQ72FH
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50555451 (CHEMBL4782374) Show SMILES CNc1nc(OCCOC)nc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2GQ72FH
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109404 (CHEMBL3601208) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O8S2/c1-19-7-11-21(12-8-19)39(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)40(37,38)22-13-9-20(2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50208369 (CHEMBL3884291) Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccncc1 Show InChI InChI=1S/C24H25ClFN5O/c1-15-22(25)18(14-19(27)23(15)26)24(32)29-20-13-17(16-5-7-28-8-6-16)3-4-21(20)31-11-9-30(2)10-12-31/h3-8,13-14H,9-12,27H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay				Eur J Med Chem 124: 480-489 (2016) Article DOI: 10.1016/j.ejmech.2016.08.036 BindingDB Entry DOI: 10.7270/Q2251M6G
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50555455 (CHEMBL4753741) Show SMILES COCCOc1nc2CCN(Cc2c(NC2CC2)n1)C(=O)c1cc(C(C)C)c(O)cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2GQ72FH
					More data for this Ligand-Target Pair

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