Compile Data Set for Download or QSAR

Found 834 hits with Last Name = 'phan' and Initial = 'j'   

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
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465552 (CHEMBL4291641 | US10501466, Example B29) Show SMILES COc1cc(cc(OC)c1C)C(=O)N[C@@H]1CCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O3/c1-15-22(30-2)12-18(13-23(15)31-3)25(29)27-20-9-8-16-6-7-17(11-19(16)20)21-14-28-10-4-5-24(28)26-21/h6-7,11-14,20H,4-5,8-10H2,1-3H3,(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.902	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465552 (CHEMBL4291641 | US10501466, Example B29) Show SMILES COc1cc(cc(OC)c1C)C(=O)N[C@@H]1CCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O3/c1-15-22(30-2)12-18(13-23(15)31-3)25(29)27-20-9-8-16-6-7-17(11-19(16)20)21-14-28-10-4-5-24(28)26-21/h6-7,11-14,20H,4-5,8-10H2,1-3H3,(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.902	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465552 (CHEMBL4291641 | US10501466, Example B29) Show SMILES COc1cc(cc(OC)c1C)C(=O)N[C@@H]1CCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O3/c1-15-22(30-2)12-18(13-23(15)31-3)25(29)27-20-9-8-16-6-7-17(11-19(16)20)21-14-28-10-4-5-24(28)26-21/h6-7,11-14,20H,4-5,8-10H2,1-3H3,(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423380 (US10501466, Example B15) Show SMILES Fc1cc(CC(=O)N[C@@H]2CCc3ccc(cc23)-c2cn3CCCc3n2)ccc1Cl |r| Show InChI InChI=1S/C23H21ClFN3O/c24-18-7-3-14(10-19(18)25)11-23(29)27-20-8-6-15-4-5-16(12-17(15)20)21-13-28-9-1-2-22(28)26-21/h3-5,7,10,12-13,20H,1-2,6,8-9,11H2,(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465585 (CHEMBL4279907 | US10501466, Example B11) Show SMILES Clc1ccc(CC(=O)N[C@@H]2CCc3ccc(cc23)-c2cn3CCCc3n2)cc1Cl |r| Show InChI InChI=1S/C23H21Cl2N3O/c24-18-7-3-14(10-19(18)25)11-23(29)27-20-8-6-15-4-5-16(12-17(15)20)21-13-28-9-1-2-22(28)26-21/h3-5,7,10,12-13,20H,1-2,6,8-9,11H2,(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465585 (CHEMBL4279907 | US10501466, Example B11) Show SMILES Clc1ccc(CC(=O)N[C@@H]2CCc3ccc(cc23)-c2cn3CCCc3n2)cc1Cl |r| Show InChI InChI=1S/C23H21Cl2N3O/c24-18-7-3-14(10-19(18)25)11-23(29)27-20-8-6-15-4-5-16(12-17(15)20)21-13-28-9-1-2-22(28)26-21/h3-5,7,10,12-13,20H,1-2,6,8-9,11H2,(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465585 (CHEMBL4279907 | US10501466, Example B11) Show SMILES Clc1ccc(CC(=O)N[C@@H]2CCc3ccc(cc23)-c2cn3CCCc3n2)cc1Cl |r| Show InChI InChI=1S/C23H21Cl2N3O/c24-18-7-3-14(10-19(18)25)11-23(29)27-20-8-6-15-4-5-16(12-17(15)20)21-13-28-9-1-2-22(28)26-21/h3-5,7,10,12-13,20H,1-2,6,8-9,11H2,(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465584 (CHEMBL4293572) Show SMILES Clc1ccc(CC(=O)NCc2cc(ccc2OC2CCC2)-c2cn3CCCc3n2)cc1Cl Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-8-6-16(11-21(20)27)12-25(31)28-14-18-13-17(7-9-23(18)32-19-3-1-4-19)22-15-30-10-2-5-24(30)29-22/h6-9,11,13,15,19H,1-5,10,12,14H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423371 (US10501466, Example B6) Show SMILES Clc1ccc(CC(=O)NC2CCc3ccc(cc23)-c2cn3CCCc3n2)cc1Cl Show InChI InChI=1S/C23H21Cl2N3O/c24-18-7-3-14(10-19(18)25)11-23(29)27-20-8-6-15-4-5-16(12-17(15)20)21-13-28-9-1-2-22(28)26-21/h3-5,7,10,12-13,20H,1-2,6,8-9,11H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465593 (CHEMBL4283374) Show SMILES COc1cc(ccc1C)C(=O)N(CC1CC1)Cc1cc(ccc1OC1CCC1)-c1cn2CCCc2n1 Show InChI InChI=1S/C30H35N3O3/c1-20-8-11-23(16-28(20)35-2)30(34)33(17-21-9-10-21)18-24-15-22(12-13-27(24)36-25-5-3-6-25)26-19-32-14-4-7-29(32)31-26/h8,11-13,15-16,19,21,25H,3-7,9-10,14,17-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465555 (CHEMBL4287817) Show SMILES COc1cc(CC(=O)N[C@@H]2CCc3ccc(cc23)-c2cn3CCCc3n2)ccc1C |r| Show InChI InChI=1S/C25H27N3O2/c1-16-5-6-17(12-23(16)30-2)13-25(29)27-21-10-9-18-7-8-19(14-20(18)21)22-15-28-11-3-4-24(28)26-22/h5-8,12,14-15,21H,3-4,9-11,13H2,1-2H3,(H,27,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423381 (US10501466, Example B16) Show SMILES CCC(=O)N1CCCC(C1)C(=O)N[C@@H]1CCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C24H30N4O2/c1-2-23(29)28-12-3-5-18(14-28)24(30)26-20-10-9-16-7-8-17(13-19(16)20)21-15-27-11-4-6-22(27)25-21/h7-8,13,15,18,20H,2-6,9-12,14H2,1H3,(H,26,30)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423377 (US10501466, Example B12) Show SMILES COc1cc(ccc1C)C(=O)N[C@@H]1CCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C24H25N3O2/c1-15-5-6-18(13-22(15)29-2)24(28)26-20-10-9-16-7-8-17(12-19(16)20)21-14-27-11-3-4-23(27)25-21/h5-8,12-14,20H,3-4,9-11H2,1-2H3,(H,26,28)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	8.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465555 (CHEMBL4287817) Show SMILES COc1cc(CC(=O)N[C@@H]2CCc3ccc(cc23)-c2cn3CCCc3n2)ccc1C |r| Show InChI InChI=1S/C25H27N3O2/c1-16-5-6-17(12-23(16)30-2)13-25(29)27-21-10-9-18-7-8-19(14-20(18)21)22-15-28-11-3-4-24(28)26-22/h5-8,12,14-15,21H,3-4,9-11,13H2,1-2H3,(H,27,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465586 (CHEMBL4294174 | US10501466, Example B14) Show SMILES COc1cc(ccc1C)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465582 (CHEMBL4277864) Show SMILES CC(C)Oc1ccc(cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1)-c1cn2CCCc2n1 Show InChI InChI=1S/C24H25Cl2N3O2/c1-15(2)31-22-8-6-17(21-14-29-9-3-4-23(29)28-21)12-18(22)13-27-24(30)11-16-5-7-19(25)20(26)10-16/h5-8,10,12,14-15H,3-4,9,11,13H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465583 (CHEMBL4288521) Show SMILES CC(C)Oc1ccc(cc1CN(CC1CC1)C(=O)Cc1ccc(Cl)c(Cl)c1)-c1cn2CCCc2n1 Show InChI InChI=1S/C28H31Cl2N3O2/c1-18(2)35-26-10-8-21(25-17-32-11-3-4-27(32)31-25)14-22(26)16-33(15-19-5-6-19)28(34)13-20-7-9-23(29)24(30)12-20/h7-10,12,14,17-19H,3-6,11,13,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
Max-like protein X (Homo sapiens (Human))	BDBM50388975 (CHEMBL2063869) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay				J Med Chem 55: 4101-13 (2012) Article DOI: 10.1021/jm300060k BindingDB Entry DOI: 10.7270/Q2HQ410F
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423383 (US10501466, Example B18) Show SMILES CCC(=O)N1CCCC(C1)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H32N4O2/c1-2-24(30)29-13-4-7-19(15-29)25(31)27-21-8-3-6-17-10-11-18(14-20(17)21)22-16-28-12-5-9-23(28)26-22/h10-11,14,16,19,21H,2-9,12-13,15H2,1H3,(H,27,31)/t19?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
Max-like protein X (Homo sapiens (Human))	BDBM50388974 (CHEMBL2063868) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3-8,10-13,16,19,21,26H,9,14-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay				J Med Chem 55: 4101-13 (2012) Article DOI: 10.1021/jm300060k BindingDB Entry DOI: 10.7270/Q2HQ410F
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465606 (CHEMBL4291223) Show SMILES COc1cc(ccc1C)C(=O)NCc1cc(ccc1OC1CCC1)-c1cn2CCCc2n1 Show InChI InChI=1S/C26H29N3O3/c1-17-8-9-19(14-24(17)31-2)26(30)27-15-20-13-18(10-11-23(20)32-21-5-3-6-21)22-16-29-12-4-7-25(29)28-22/h8-11,13-14,16,21H,3-7,12,15H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50388975 (CHEMBL2063869) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 5-FAM-conjugated AVP-diPhe-FAM from cIAP1 BIR3 domain after 30 mins by fluorescence polarization-based competition assay				J Med Chem 55: 4101-13 (2012) Article DOI: 10.1021/jm300060k BindingDB Entry DOI: 10.7270/Q2HQ410F
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423378 (US10501466, Example B13) Show SMILES CC(=O)N1CCCC(C1)C(=O)N[C@@H]1CCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C23H28N4O2/c1-15(28)26-10-2-4-18(13-26)23(29)25-20-9-8-16-6-7-17(12-19(16)20)21-14-27-11-3-5-22(27)24-21/h6-7,12,14,18,20H,2-5,8-11,13H2,1H3,(H,25,29)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423391 (US10501466, Example B26) Show SMILES COc1cncc(c1)C(=O)N[C@@H]1CCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C22H22N4O2/c1-28-17-9-16(11-23-12-17)22(27)25-19-7-6-14-4-5-15(10-18(14)19)20-13-26-8-2-3-21(26)24-20/h4-5,9-13,19H,2-3,6-8H2,1H3,(H,25,27)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423369 (US10501466, Example B4) Show SMILES CCOc1cccc(c1)C(=O)NC1CCc2ccc(cc12)-c1cn2CCCc2n1 Show InChI InChI=1S/C24H25N3O2/c1-2-29-19-6-3-5-18(13-19)24(28)26-21-11-10-16-8-9-17(14-20(16)21)22-15-27-12-4-7-23(27)25-22/h3,5-6,8-9,13-15,21H,2,4,7,10-12H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423373 (US10501466, Example B8) Show SMILES CCC(=O)N1CCCC(C1)C(=O)NC1CCc2ccc(cc12)-c1cn2CCCc2n1 Show InChI InChI=1S/C24H30N4O2/c1-2-23(29)28-12-3-5-18(14-28)24(30)26-20-10-9-16-7-8-17(13-19(16)20)21-15-27-11-4-6-22(27)25-21/h7-8,13,15,18,20H,2-6,9-12,14H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465603 (CHEMBL4285163) Show SMILES Clc1ccc(CC(=O)NCc2cc(ccc2N2CCOCC2)-c2cn3CCCc3n2)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O2/c26-20-5-3-17(12-21(20)27)13-25(32)28-15-19-14-18(22-16-31-7-1-2-24(31)29-22)4-6-23(19)30-8-10-33-11-9-30/h3-6,12,14,16H,1-2,7-11,13,15H2,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423398 (US10501466, Example B33) Show SMILES COc1cc(ccc1C)C(=O)N[C@@H]1CCN(C(C)=O)c2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C26H28N4O3/c1-16-6-7-19(14-24(16)33-3)26(32)28-21-10-12-30(17(2)31)23-9-8-18(13-20(21)23)22-15-29-11-4-5-25(29)27-22/h6-9,13-15,21H,4-5,10-12H2,1-3H3,(H,28,32)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423386 (US10501466, Example B21) Show SMILES Cc1cnc(Cl)c(c1)C(=O)N[C@@H]1CCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C22H21ClN4O/c1-13-9-17(21(23)24-11-13)22(28)26-18-7-6-14-4-5-15(10-16(14)18)19-12-27-8-2-3-20(27)25-19/h4-5,9-12,18H,2-3,6-8H2,1H3,(H,26,28)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465579 (CHEMBL4294133) Show SMILES COc1cccc(c1)C(=O)N(CC1CC1)Cc1cc(ccc1OC1CCC1)-c1cn2CCCc2n1 Show InChI InChI=1S/C29H33N3O3/c1-34-25-8-2-5-22(16-25)29(33)32(17-20-10-11-20)18-23-15-21(12-13-27(23)35-24-6-3-7-24)26-19-31-14-4-9-28(31)30-26/h2,5,8,12-13,15-16,19-20,24H,3-4,6-7,9-11,14,17-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465586 (CHEMBL4294174 | US10501466, Example B14) Show SMILES COc1cc(ccc1C)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423370 (US10501466, Example B5) Show SMILES COc1cc(C)cc(c1)C(=O)NC1CCc2ccc(cc12)-c1cn2CCCc2n1 Show InChI InChI=1S/C24H25N3O2/c1-15-10-18(12-19(11-15)29-2)24(28)26-21-8-7-16-5-6-17(13-20(16)21)22-14-27-9-3-4-23(27)25-22/h5-6,10-14,21H,3-4,7-9H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465586 (CHEMBL4294174 | US10501466, Example B14) Show SMILES COc1cc(ccc1C)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C25H27N3O2/c1-16-8-9-19(14-23(16)30-2)25(29)27-21-6-3-5-17-10-11-18(13-20(17)21)22-15-28-12-4-7-24(28)26-22/h8-11,13-15,21H,3-7,12H2,1-2H3,(H,27,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50388975 (CHEMBL2063869) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay				J Med Chem 55: 4101-13 (2012) Article DOI: 10.1021/jm300060k BindingDB Entry DOI: 10.7270/Q2HQ410F
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465554 (CHEMBL4286527) Show SMILES COc1cccc(c1)C(=O)N(CC1CC1)Cc1cc(ccc1OC(C)C)-c1cn2CCCc2n1 Show InChI InChI=1S/C28H33N3O3/c1-19(2)34-26-12-11-21(25-18-30-13-5-8-27(30)29-25)14-23(26)17-31(16-20-9-10-20)28(32)22-6-4-7-24(15-22)33-3/h4,6-7,11-12,14-15,18-20H,5,8-10,13,16-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465604 (CHEMBL4283339) Show SMILES Clc1ccc(CC(=O)N(CC2CC2)Cc2cc(ccc2OC2CCC2)-c2cn3CCCc3n2)cc1Cl Show InChI InChI=1S/C29H31Cl2N3O2/c30-24-10-8-20(13-25(24)31)14-29(35)34(16-19-6-7-19)17-22-15-21(9-11-27(22)36-23-3-1-4-23)26-18-33-12-2-5-28(33)32-26/h8-11,13,15,18-19,23H,1-7,12,14,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
Max-like protein X (Homo sapiens (Human))	BDBM50388970 (CHEMBL2063863) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CSC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H40N4O3S/c1-21(31-2)28(35)33-27(24-16-10-5-11-17-24)30(37)34-20-38-19-26(34)29(36)32-18-25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,21,24-27,31H,5,10-11,16-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,26-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay				J Med Chem 55: 4101-13 (2012) Article DOI: 10.1021/jm300060k BindingDB Entry DOI: 10.7270/Q2HQ410F
					More data for this Ligand-Target Pair
Max-like protein X (Homo sapiens (Human))	BDBM50388969 (CHEMBL2063862) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H38N4O3/c1-19(2)25(31-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)30-18-23(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,34)(H,31,33)/t20-,24-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay				J Med Chem 55: 4101-13 (2012) Article DOI: 10.1021/jm300060k BindingDB Entry DOI: 10.7270/Q2HQ410F
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423368 (US10501466, Example B3) Show SMILES COc1cc(ccc1C)C(=O)NC1CCc2ccc(cc12)-c1cn2CCCc2n1 Show InChI InChI=1S/C24H25N3O2/c1-15-5-6-18(13-22(15)29-2)24(28)26-20-10-9-16-7-8-17(12-19(16)20)21-14-27-11-3-4-23(27)25-21/h5-8,12-14,20H,3-4,9-11H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	30.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair				3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human))	BDBM27919 (Azabicyclooctane scaffold, 14b | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3cccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				J Med Chem 52: 1723-30 (2009) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423372 (US10501466, Example B7) Show SMILES CC(=O)N1CCCC(C1)C(=O)NC1CCc2ccc(cc12)-c1cn2CCCc2n1 Show InChI InChI=1S/C23H28N4O2/c1-15(28)26-10-2-4-18(13-26)23(29)25-20-9-8-16-6-7-17(12-19(16)20)21-14-27-11-3-5-22(27)24-21/h6-7,12,14,18,20H,2-5,8-11,13H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465594 (CHEMBL4284408 | US10501466, Example B24) Show SMILES Cc1cc(ccn1)C(=O)N[C@@H]1CCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C22H22N4O/c1-14-11-17(8-9-23-14)22(27)25-19-7-6-15-4-5-16(12-18(15)19)20-13-26-10-2-3-21(26)24-20/h4-5,8-9,11-13,19H,2-3,6-7,10H2,1H3,(H,25,27)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50388974 (CHEMBL2063868) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3-8,10-13,16,19,21,26H,9,14-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay				J Med Chem 55: 4101-13 (2012) Article DOI: 10.1021/jm300060k BindingDB Entry DOI: 10.7270/Q2HQ410F
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM423382 (US10501466, Example B17) Show SMILES CC(=O)N1CCCC(C1)C(=O)N[C@@H]1CCCc2ccc(cc12)-c1cn2CCCc2n1 |r| Show InChI InChI=1S/C24H30N4O2/c1-16(29)27-11-3-6-19(14-27)24(30)26-21-7-2-5-17-9-10-18(13-20(17)21)22-15-28-12-4-8-23(28)25-22/h9-10,13,15,19,21H,2-8,11-12,14H2,1H3,(H,26,30)/t19?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	36.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer...				US Patent US10501466 (2019) BindingDB Entry DOI: 10.7270/Q2319Z71
					More data for this Ligand-Target Pair
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27920 (Azabicyclooctane scaffold, 14c | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc(F)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H37FN4O3/c1-16(30-5)25(34)32-24(28(2,3)4)27(36)33-15-14-17-10-13-22(23(17)33)31-26(35)20-11-12-21(29)19-9-7-6-8-18(19)20/h6-9,11-12,16-17,22-24,30H,10,13-15H2,1-5H3,(H,31,35)(H,32,34)/t16-,17+,22-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	-41.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc.					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				J Med Chem 52: 1723-30 (2009) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H
					More data for this Ligand-Target Pair				3D Structure (docked)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465602 (CHEMBL4278618) Show SMILES CCOc1ccc(cc1CN(CC1CC1)C(=O)c1cccc(OC)c1)-c1cn2CCCc2n1 Show InChI InChI=1S/C27H31N3O3/c1-3-33-25-12-11-20(24-18-29-13-5-8-26(29)28-24)14-22(25)17-30(16-19-9-10-19)27(31)21-6-4-7-23(15-21)32-2/h4,6-7,11-12,14-15,18-19H,3,5,8-10,13,16-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27942 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H36N4O3/c1-18(2)24(30-25(32)19(3)28)27(34)31-16-10-15-23(31)26(33)29-17-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,18-19,22-24H,10,15-17,28H2,1-3H3,(H,29,33)(H,30,32)/t19-,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	43	-41.6	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc.					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				J Med Chem 52: 1723-30 (2009) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50388975 (CHEMBL2063869) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 5-FAM-conjugated AVP-diPhe-FAM from cIAP2 BIR3 domain after 30 mins by fluorescence polarization-based competition assay				J Med Chem 55: 4101-13 (2012) Article DOI: 10.1021/jm300060k BindingDB Entry DOI: 10.7270/Q2HQ410F
					More data for this Ligand-Target Pair
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27919 (Azabicyclooctane scaffold, 14b | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3cccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	46	-41.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech, Inc.					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				J Med Chem 52: 1723-30 (2009) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50465581 (CHEMBL4292999) Show SMILES CN(C)c1ccc(cc1CNC(=O)Cc1ccc(Cl)c(Cl)c1)-c1cn2CCCc2n1 Show InChI InChI=1S/C23H24Cl2N4O/c1-28(2)21-8-6-16(20-14-29-9-3-4-22(29)27-20)12-17(21)13-26-23(30)11-15-5-7-18(24)19(25)10-15/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL...				J Med Chem 61: 5623-5642 (2018) Article DOI: 10.1021/acs.jmedchem.8b00375 BindingDB Entry DOI: 10.7270/Q2KD21KT
					More data for this Ligand-Target Pair

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