Compile Data Set for Download or QSAR

Found 296 hits with Last Name = 'franklin' and Initial = 'm'   

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
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
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
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
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
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human))	BDBM17344 ((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					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
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
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
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)
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM17344 ((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	40	-41.8	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human))	BDBM17345 ((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...) Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r| Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	50	-41.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM17344 ((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	50	-41.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM17345 ((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...) Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r| Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	50	-41.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27921 (Azabicyclooctane scaffold, 14d | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc(C)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/C29H40N4O3/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34)/t18-,19+,23-,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	-40.7	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)
Baculoviral IAP repeat-containing protein 3 [252-340] (Homo sapiens (Human))	BDBM17344 ((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	70	-40.4	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair
Max-like protein X (Homo sapiens (Human))	BDBM50388968 (CHEMBL2063866) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H42N4O3/c1-22(32-2)29(36)34-28(25-17-10-5-11-18-25)31(38)35-20-12-19-27(35)30(37)33-21-26(23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-4,6-9,13-16,22,25-28,32H,5,10-12,17-21H2,1-2H3,(H,33,37)(H,34,36)/t22-,27-,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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))	BDBM50388972 (CHEMBL2063865) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC[C@H](O)CO)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H42N4O5/c1-20(2)27(33-28(37)21(3)31-17-24(36)19-35)30(39)34-16-10-15-26(34)29(38)32-18-25(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,20-21,24-27,31,35-36H,10,15-19H2,1-3H3,(H,32,38)(H,33,37)/t21-,24-,26-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	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
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27918 ((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...) Show SMILES [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	82	-40.0	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)
Max-like protein X (Homo sapiens (Human))	BDBM50388973 (CHEMBL2063867) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H35ClN4O3/c1-16(26-2)22(30)28-21(18-7-4-3-5-8-18)24(32)29-14-6-9-20(29)23(31)27-15-17-10-12-19(25)13-11-17/h10-13,16,18,20-21,26H,3-9,14-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	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
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27923 (Azabicyclooctane scaffold, 14f | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc4ccccc4c3)[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)32-15-14-19-12-13-22(23(19)32)30-26(34)21-11-10-18-8-6-7-9-20(18)16-21/h6-11,16-17,19,22-24,29H,12-15H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	91	-39.8	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)
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27927 (Azabicyclooctane scaffold, 14j | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc4occc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-12-10-16-6-8-19(21(16)30)28-24(32)18-7-9-20-17(14-18)11-13-34-20/h7,9,11,13-16,19,21-22,27H,6,8,10,12H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	100	-39.6	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 (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM27922 (Azabicyclooctane scaffold, 14e | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O4/c1-17(30-5)26(34)32-25(29(2,3)4)28(36)33-16-15-19-11-13-21(24(19)33)31-27(35)23-20-10-8-7-9-18(20)12-14-22(23)37-6/h7-10,12,14,17,19,21,24-25,30H,11,13,15-16H2,1-6H3,(H,31,35)(H,32,34)/t17-,19+,21-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	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
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27935 (Azabicyclooctane scaffold, 14r | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3csc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O3S/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	-39.3	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)
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human))	BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1 |r| Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-39.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					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))	BDBM27922 (Azabicyclooctane scaffold, 14e | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O4/c1-17(30-5)26(34)32-25(29(2,3)4)28(36)33-16-15-19-11-13-21(24(19)33)31-27(35)23-20-10-8-7-9-18(20)12-14-22(23)37-6/h7-10,12,14,17,19,21,24-25,30H,11,13,15-16H2,1-6H3,(H,31,35)(H,32,34)/t17-,19+,21-,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	-39.3	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
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	112	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 BIR2 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
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human))	BDBM27918 ((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...) Show SMILES [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	129	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
Baculoviral IAP repeat-containing protein 3 [252-340] (Homo sapiens (Human))	BDBM17345 ((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...) Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r| Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	130	-38.9	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	140	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
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM27935 (Azabicyclooctane scaffold, 14r | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3csc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O3S/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	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
E3 ubiquitin-protein ligase XIAP (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	190	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
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM17346 ((3R,6S,9aS)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...) Show SMILES [H][C@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r| Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	-38.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM27921 (Azabicyclooctane scaffold, 14d | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc(C)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/C29H40N4O3/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34)/t18-,19+,23-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	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
E3 ubiquitin-protein ligase XIAP [241-356] (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	210	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
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27931 (Azabicyclooctane scaffold, 14n | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc4nn[nH]c4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C24H35N7O3/c1-13(25-5)21(32)27-20(24(2,3)4)23(34)31-11-10-14-6-9-17(19(14)31)26-22(33)15-7-8-16-18(12-15)29-30-28-16/h7-8,12-14,17,19-20,25H,6,9-11H2,1-5H3,(H,26,33)(H,27,32)(H,28,29,30)/t13-,14+,17-,19-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	260	-37.2	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)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1 |r| Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	270	-37.1	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1 |r| Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	280	-37.0	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair				3D Structure (docked)
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27940 ((2S)-N-[(2S)-1-[(2S)-2-[(1,1-diphenylacetamido)met...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C29H40N4O3/c1-20(30-5)26(34)32-25(29(2,3)4)28(36)33-18-12-17-23(33)19-31-27(35)24(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23-25,30H,12,17-19H2,1-5H3,(H,31,35)(H,32,34)/t20-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	290	-36.9	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
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM27936 ((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[methyl(phenyl)car...) Show SMILES [H][C@]12CC[C@H](NC(=O)N(C)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C25H39N5O3/c1-16(26-5)22(31)28-21(25(2,3)4)23(32)30-15-14-17-12-13-19(20(17)30)27-24(33)29(6)18-10-8-7-9-11-18/h7-11,16-17,19-21,26H,12-15H2,1-6H3,(H,27,33)(H,28,31)/t16-,17+,19-,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	330	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
E3 ubiquitin-protein ligase XIAP [241-356] (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	345	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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50388968 (CHEMBL2063866) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H42N4O3/c1-22(32-2)29(36)34-28(25-17-10-5-11-18-25)31(38)35-20-12-19-27(35)30(37)33-21-26(23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-4,6-9,13-16,22,25-28,32H,5,10-12,17-21H2,1-2H3,(H,33,37)(H,34,36)/t22-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	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
E3 ubiquitin-protein ligase XIAP (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	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
Complex of Baculoviral IAP repeat-containing protein 7 [63-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348] (Homo sapiens (Human))	BDBM27934 (Azabicyclooctane scaffold, 14q | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3coc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	-35.9	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)
Max-like protein X (Homo sapiens (Human))	BDBM50388971 (CHEMBL2063864) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NCC1CC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H42N4O3/c1-21(2)28(34-29(36)22(3)32-19-23-16-17-23)31(38)35-18-10-15-27(35)30(37)33-20-26(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,21-23,26-28,32H,10,15-20H2,1-3H3,(H,33,37)(H,34,36)/t22-,27-,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	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
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM27927 (Azabicyclooctane scaffold, 14j | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3ccc4occc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-12-10-16-6-8-19(21(16)30)28-24(32)18-7-9-20-17(14-18)11-13-34-20/h7,9,11,13-16,19,21-22,27H,6,8,10,12H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	490	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
Baculoviral IAP repeat-containing protein 3 [252-340] (Homo sapiens (Human))	BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1 |r| Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	490	-35.7	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair

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