Compile Data Set for Download or QSAR

Found 429 hits with Last Name = 'gambini' and Initial = 'l'   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50587038 (CHEMBL5090086) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Mcl-1 assessed as inhibition constant by DELFIA displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00005 BindingDB Entry DOI: 10.7270/Q2CZ3C3Q
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50587037 (CHEMBL5082279) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)c1cc(ccc1C)S(F)(=O)=O)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Mcl-1 assessed as inhibition constant by DELFIA displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00005 BindingDB Entry DOI: 10.7270/Q2CZ3C3Q
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM50588298 (CHEMBL5174454) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01459 BindingDB Entry DOI: 10.7270/Q2988C0R
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501947 (CHEMBL4443905) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C28H35F2N5O5S/c1-17(31-2)26(36)34-24(16-32-15-18-8-10-19(11-9-18)41(30,39)40)28(38)35-14-4-7-25(35)27(37)33-23-13-12-20-21(23)5-3-6-22(20)29/h3,5-6,8-11,17,23-25,31-32H,4,7,12-16H2,1-2H3,(H,33,37)(H,34,36)/t17-,23+,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli B...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501941 (CHEMBL4475136) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H37FN6O6S/c1-18(31-2)26(37)34-23(17-32-16-20-10-12-21(13-11-20)42(29,40)41)28(39)35-14-6-9-24(35)27(38)33-22(25(30)36)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,31-32H,6,9,14-17H2,1-2H3,(H2,30,36)(H,33,38)(H,34,37)/t18-,22-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Tyr mutant expressed in Escherichia coli BL21(DE3) cel...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM60828 (ABT-199 | BDBM189459 | US10213433, Compound 5 | US...) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Riverside					Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...				ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50465645 (CHEMBL4288478) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C29H33F5N4O3/c1-15-12-17(22(31)14-20(15)29(32,33)34)13-24(37-26(39)16(2)35-3)28(41)38-11-5-8-25(38)27(40)36-23-10-9-18-19(23)6-4-7-21(18)30/h4,6-7,12,14,16,23-25,35H,5,8-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,23+,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501942 (CHEMBL4437384) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(OS(F)(=O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H35FN6O8S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43-44(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) c...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50588613 (CHEMBL5180264) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCCCC(=O)NCCCC[C@H](NC(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01391 BindingDB Entry DOI: 10.7270/Q2V4105C
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501941 (CHEMBL4475136) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H37FN6O6S/c1-18(31-2)26(37)34-23(17-32-16-20-10-12-21(13-11-20)42(29,40)41)28(39)35-14-6-9-24(35)27(38)33-22(25(30)36)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,31-32H,6,9,14-17H2,1-2H3,(H2,30,36)(H,33,38)(H,34,37)/t18-,22-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Tyr mutant expressed in Escherichia coli BL21(DE3) cel...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50588611 (CHEMBL5180519) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01391 BindingDB Entry DOI: 10.7270/Q2V4105C
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 [1-149] (Homo sapiens (Human))	BDBM218788 (Ac-CATQLRRFGDKLNFRQKLLN-NH2 | hNOXA) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C108H180N36O28S/c1-54(2)43-71(139-96(163)69(35-37-81(112)148)135-105(172)86(59(10)145)144-88(155)58(9)126-104(171)79(53-173)127-60(11)146)97(164)132-65(31-22-40-122-106(116)117)90(157)130-67(33-24-42-124-108(120)121)94(161)141-75(47-61-25-14-12-15-26-61)89(156)125-52-84(151)128-78(51-85(152)153)103(170)131-64(30-19-21-39-110)93(160)138-74(46-57(7)8)100(167)143-77(50-83(114)150)102(169)142-76(48-62-27-16-13-17-28-62)101(168)133-66(32-23-41-123-107(118)119)91(158)134-68(34-36-80(111)147)95(162)129-63(29-18-20-38-109)92(159)137-73(45-56(5)6)99(166)140-72(44-55(3)4)98(165)136-70(87(115)154)49-82(113)149/h12-17,25-28,54-59,63-79,86,145,173H,18-24,29-53,109-110H2,1-11H3,(H2,111,147)(H2,112,148)(H2,113,149)(H2,114,150)(H2,115,154)(H,125,156)(H,126,171)(H,127,146)(H,128,151)(H,129,162)(H,130,157)(H,131,170)(H,132,164)(H,133,168)(H,134,158)(H,135,172)(H,136,165)(H,137,159)(H,138,160)(H,139,163)(H,140,166)(H,141,161)(H,142,169)(H,143,167)(H,144,155)(H,152,153)(H4,116,117,122)(H4,118,119,123)(H4,120,121,124)/t58-,59+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,86-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Riverside					Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...				ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50588612 (CHEMBL5178807) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C1CCCCC1)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01391 BindingDB Entry DOI: 10.7270/Q2V4105C
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501941 (CHEMBL4475136) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H37FN6O6S/c1-18(31-2)26(37)34-23(17-32-16-20-10-12-21(13-11-20)42(29,40)41)28(39)35-14-6-9-24(35)27(38)33-22(25(30)36)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,31-32H,6,9,14-17H2,1-2H3,(H2,30,36)(H,33,38)(H,34,37)/t18-,22-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli B...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 [1-149] (Homo sapiens (Human))	BDBM218795 (130E7 | Ac-λIAQELRRIGDEFNAYYARR-NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C110H171ClN36O32/c1-11-54(5)86(146-97(170)68(25-19-43-126-110(121)122)137-93(166)67(24-18-42-125-109(119)120)138-100(173)72(44-53(3)4)142-95(168)70(35-38-83(155)156)139-94(167)69(34-37-79(112)151)136-90(163)58(9)131-106(179)87(55(6)12-2)147-104(177)78(132-59(10)148)51-127-81(153)50-111)105(178)128-52-82(154)133-77(49-85(159)160)103(176)140-71(36-39-84(157)158)96(169)143-75(45-60-20-14-13-15-21-60)102(175)145-76(48-80(113)152)99(172)130-57(8)91(164)141-74(47-62-28-32-64(150)33-29-62)101(174)144-73(46-61-26-30-63(149)31-27-61)98(171)129-56(7)89(162)135-66(23-17-41-124-108(117)118)92(165)134-65(88(114)161)22-16-40-123-107(115)116/h13-15,20-21,26-33,53-58,65-78,86-87,149-150H,11-12,16-19,22-25,34-52H2,1-10H3,(H2,112,151)(H2,113,152)(H2,114,161)(H,127,153)(H,128,178)(H,129,171)(H,130,172)(H,131,179)(H,132,148)(H,133,154)(H,134,165)(H,135,162)(H,136,163)(H,137,166)(H,138,173)(H,139,167)(H,140,176)(H,141,164)(H,142,168)(H,143,169)(H,144,174)(H,145,175)(H,146,170)(H,147,177)(H,155,156)(H,157,158)(H,159,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t54-,55-,56-,57-,58-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,86-,87-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Riverside					Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...				ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM50441356 (CHEMBL2431768) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01459 BindingDB Entry DOI: 10.7270/Q2988C0R
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50530582 (CHEMBL4581366) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C26H37FN4O6S/c1-16(28-2)24(32)30-23(17-8-4-3-5-9-17)26(34)31-15-7-11-21(31)25(33)29-20-14-13-19-18(20)10-6-12-22(19)37-38(27,35)36/h6,10,12,16-17,20-21,23,28H,3-5,7-9,11,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,20+,21-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50530582 (CHEMBL4581366) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C26H37FN4O6S/c1-16(28-2)24(32)30-23(17-8-4-3-5-9-17)26(34)31-15-7-11-21(31)25(33)29-20-14-13-19-18(20)10-6-12-22(19)37-38(27,35)36/h6,10,12,16-17,20-21,23,28H,3-5,7-9,11,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,20+,21-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50588607 (CHEMBL5177810) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01391 BindingDB Entry DOI: 10.7270/Q2V4105C
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465631 (CHEMBL4277819) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Tyr mutant expressed in Escherichia coli BL21(DE3) cel...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM50588298 (CHEMBL5174454) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(ccc1OC)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc12 |r| Show InChI	PDB MMDB 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: 10.1021/acs.jmedchem.1c01459 BindingDB Entry DOI: 10.7270/Q2988C0R
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50441356 (CHEMBL2431768) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs without 6...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50530583 (CHEMBL4552412) Show SMILES CN[C@@H](C)C(=O)NC(Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C29H33F5N4O6S/c1-15-12-17(21(30)14-20(15)29(31,32)33)13-23(37-26(39)16(2)35-3)28(41)38-11-5-7-24(38)27(40)36-22-10-9-19-18(22)6-4-8-25(19)44-45(34,42)43/h4,6,8,12,14,16,22-24,35H,5,7,9-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,22+,23?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs afte...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50530583 (CHEMBL4552412) Show SMILES CN[C@@H](C)C(=O)NC(Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C29H33F5N4O6S/c1-15-12-17(21(30)14-20(15)29(31,32)33)13-23(37-26(39)16(2)35-3)28(41)38-11-5-7-24(38)27(40)36-22-10-9-19-18(22)6-4-8-25(19)44-45(34,42)43/h4,6,8,12,14,16,22-24,35H,5,7,9-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,22+,23?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs afte...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50588608 (CHEMBL5192123) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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: 10.1021/acs.jmedchem.2c01391 BindingDB Entry DOI: 10.7270/Q2V4105C
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50441356 (CHEMBL2431768) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs without 6...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465631 (CHEMBL4277819) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465631 (CHEMBL4277819) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli B...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50530582 (CHEMBL4581366) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C26H37FN4O6S/c1-16(28-2)24(32)30-23(17-8-4-3-5-9-17)26(34)31-15-7-11-21(31)25(33)29-20-14-13-19-18(20)10-6-12-22(19)37-38(27,35)36/h6,10,12,16-17,20-21,23,28H,3-5,7-9,11,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,20+,21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs afte...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50530582 (CHEMBL4581366) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C26H37FN4O6S/c1-16(28-2)24(32)30-23(17-8-4-3-5-9-17)26(34)31-15-7-11-21(31)25(33)29-20-14-13-19-18(20)10-6-12-22(19)37-38(27,35)36/h6,10,12,16-17,20-21,23,28H,3-5,7-9,11,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,20+,21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs afte...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501940 (CHEMBL4462680) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCc1ccc(OS(F)(=O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H36FN5O7S/c1-18(31-2)26(36)32-22(15-12-19-10-13-21(14-11-19)41-42(29,39)40)28(38)34-16-6-9-24(34)27(37)33-23(25(30)35)17-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,18,22-24,31H,6,9,12,15-17H2,1-2H3,(H2,30,35)(H,32,36)(H,33,37)/t18-,22-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) c...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465631 (CHEMBL4277819) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Tyr mutant expressed in Escherichia coli BL21(DE3) cel...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501943 (CHEMBL4472035) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C29H37FN6O7S/c1-18(32-2)26(38)34-22(14-15-33-27(39)20-10-12-21(13-11-20)44(30,42)43)29(41)36-16-6-9-24(36)28(40)35-23(25(31)37)17-19-7-4-3-5-8-19/h3-5,7-8,10-13,18,22-24,32H,6,9,14-17H2,1-2H3,(H2,31,37)(H,33,39)(H,34,38)(H,35,40)/t18-,22-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) c...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501944 (CHEMBL4464994) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCCNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C30H39FN6O7S/c1-19(33-2)27(39)35-23(10-6-16-34-28(40)21-12-14-22(15-13-21)45(31,43)44)30(42)37-17-7-11-25(37)29(41)36-24(26(32)38)18-20-8-4-3-5-9-20/h3-5,8-9,12-15,19,23-25,33H,6-7,10-11,16-18H2,1-2H3,(H2,32,38)(H,34,40)(H,35,39)(H,36,41)/t19-,23-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) c...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50530583 (CHEMBL4552412) Show SMILES CN[C@@H](C)C(=O)NC(Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C29H33F5N4O6S/c1-15-12-17(21(30)14-20(15)29(31,32)33)13-23(37-26(39)16(2)35-3)28(41)38-11-5-7-24(38)27(40)36-22-10-9-19-18(22)6-4-8-25(19)44-45(34,42)43/h4,6,8,12,14,16,22-24,35H,5,7,9-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,22+,23?,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465631 (CHEMBL4277819) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H35FN6O7S/c1-17(31-2)25(37)34-22(16-32-26(38)19-10-12-20(13-11-19)43(29,41)42)28(40)35-14-6-9-23(35)27(39)33-21(24(30)36)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,31H,6,9,14-16H2,1-2H3,(H2,30,36)(H,32,38)(H,33,39)(H,34,37)/t17-,21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli B...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50530583 (CHEMBL4552412) Show SMILES CN[C@@H](C)C(=O)NC(Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C29H33F5N4O6S/c1-15-12-17(21(30)14-20(15)29(31,32)33)13-23(37-26(39)16(2)35-3)28(41)38-11-5-7-24(38)27(40)36-22-10-9-19-18(22)6-4-8-25(19)44-45(34,42)43/h4,6,8,12,14,16,22-24,35H,5,7,9-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,22+,23?,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
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	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 [1-149] (Homo sapiens (Human))	BDBM218796 (130D11 | Ac-λAQELR(Xi)IGD(Xi+4)FNAYYARR-NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C109H167ClN32O29/c1-13-16-21-43-108(11,103(170)139-76(49-63-26-19-18-20-27-63)98(165)138-77(52-81(112)147)95(162)126-61(9)90(157)135-75(51-65-33-37-67(145)38-34-65)97(164)137-74(50-64-31-35-66(144)36-32-64)94(161)125-59(7)88(155)131-69(29-24-46-121-106(116)117)91(158)130-68(87(113)154)28-23-45-120-105(114)115)142-101(168)78(53-85(152)153)129-83(149)56-124-102(169)86(58(6)15-3)140-104(171)109(12,44-22-17-14-2)141-100(167)70(30-25-47-122-107(118)119)133-96(163)73(48-57(4)5)136-93(160)72(40-42-84(150)151)134-92(159)71(39-41-80(111)146)132-89(156)60(8)127-99(166)79(128-62(10)143)55-123-82(148)54-110/h13-14,18-20,26-27,31-38,57-61,68-79,86,144-145H,1-2,15-17,21-25,28-30,39-56H2,3-12H3,(H2,111,146)(H2,112,147)(H2,113,154)(H,123,148)(H,124,169)(H,125,161)(H,126,162)(H,127,166)(H,128,143)(H,129,149)(H,130,158)(H,131,155)(H,132,156)(H,133,163)(H,134,159)(H,135,157)(H,136,160)(H,137,164)(H,138,165)(H,139,170)(H,140,171)(H,141,167)(H,142,168)(H,150,151)(H,152,153)(H4,114,115,120)(H4,116,117,121)(H4,118,119,122)/t58-,59-,60-,61-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79?,86-,108-,109-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Riverside					Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...				ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50530582 (CHEMBL4581366) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C26H37FN4O6S/c1-16(28-2)24(32)30-23(17-8-4-3-5-9-17)26(34)31-15-7-11-21(31)25(33)29-20-14-13-19-18(20)10-6-12-22(19)37-38(27,35)36/h6,10,12,16-17,20-21,23,28H,3-5,7-9,11,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,20+,21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50530582 (CHEMBL4581366) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C26H37FN4O6S/c1-16(28-2)24(32)30-23(17-8-4-3-5-9-17)26(34)31-15-7-11-21(31)25(33)29-20-14-13-19-18(20)10-6-12-22(19)37-38(27,35)36/h6,10,12,16-17,20-21,23,28H,3-5,7-9,11,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,20+,21-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7 (Homo sapiens (Human))	BDBM50441356 (CHEMBL2431768) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	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: 10.1021/acs.jmedchem.1c01459 BindingDB Entry DOI: 10.7270/Q2988C0R
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50530583 (CHEMBL4552412) Show SMILES CN[C@@H](C)C(=O)NC(Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C29H33F5N4O6S/c1-15-12-17(21(30)14-20(15)29(31,32)33)13-23(37-26(39)16(2)35-3)28(41)38-11-5-7-24(38)27(40)36-22-10-9-19-18(22)6-4-8-25(19)44-45(34,42)43/h4,6,8,12,14,16,22-24,35H,5,7,9-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,22+,23?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50530583 (CHEMBL4552412) Show SMILES CN[C@@H](C)C(=O)NC(Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OS(F)(=O)=O |r| Show InChI InChI=1S/C29H33F5N4O6S/c1-15-12-17(21(30)14-20(15)29(31,32)33)13-23(37-26(39)16(2)35-3)28(41)38-11-5-7-24(38)27(40)36-22-10-9-19-18(22)6-4-8-25(19)44-45(34,42)43/h4,6,8,12,14,16,22-24,35H,5,7,9-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,22+,23?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 h...				J Med Chem 62: 9188-9200 (2019) Article DOI: 10.1021/acs.jmedchem.9b01108 BindingDB Entry DOI: 10.7270/Q2F47SKT
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50588609 (CHEMBL5178830) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01391 BindingDB Entry DOI: 10.7270/Q2V4105C
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50501944 (CHEMBL4464994) Show SMILES CN[C@@H](C)C(=O)N[C@@H](CCCNC(=O)c1ccc(cc1)S(F)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C30H39FN6O7S/c1-19(33-2)27(39)35-23(10-6-16-34-28(40)21-12-14-22(15-13-21)45(31,43)44)30(42)37-17-7-11-25(37)29(41)36-24(26(32)38)18-20-8-4-3-5-9-20/h3-5,8-9,12-15,19,23-25,33H,6-7,10-11,16-18H2,1-2H3,(H2,32,38)(H,34,40)(H,35,39)(H,36,41)/t19-,23-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) c...				J Med Chem 62: 5616-5627 (2019) Article DOI: 10.1021/acs.jmedchem.9b00561 BindingDB Entry DOI: 10.7270/Q21J9F1P
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 [1-149] (Homo sapiens (Human))	BDBM218791 (Ac-CATQLRRFGDKLN-NH2 | hNOXAs) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C66H111N23O19S/c1-32(2)25-43(87-59(103)41(20-21-48(68)92)84-64(108)52(35(6)90)89-54(98)34(5)78-63(107)47(31-109)79-36(7)91)60(104)83-39(18-13-23-75-65(71)72)56(100)81-40(19-14-24-76-66(73)74)58(102)88-45(27-37-15-9-8-10-16-37)55(99)77-30-50(94)80-46(29-51(95)96)62(106)82-38(17-11-12-22-67)57(101)86-44(26-33(3)4)61(105)85-42(53(70)97)28-49(69)93/h8-10,15-16,32-35,38-47,52,90,109H,11-14,17-31,67H2,1-7H3,(H2,68,92)(H2,69,93)(H2,70,97)(H,77,99)(H,78,107)(H,79,91)(H,80,94)(H,81,100)(H,82,106)(H,83,104)(H,84,108)(H,85,105)(H,86,101)(H,87,103)(H,88,102)(H,89,98)(H,95,96)(H4,71,72,75)(H4,73,74,76)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Riverside					Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...				ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50465645 (CHEMBL4288478) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1cc(C)c(cc1F)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C29H33F5N4O3/c1-15-12-17(22(31)14-20(15)29(32,33)34)13-24(37-26(39)16(2)35-3)28(41)38-11-5-8-25(38)27(40)36-23-10-9-18-19(23)6-4-7-21(18)30/h4,6-7,12,14,16,23-25,35H,5,8-11,13H2,1-3H3,(H,36,40)(H,37,39)/t16-,23+,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50441356 (CHEMBL2431768) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01459 BindingDB Entry DOI: 10.7270/Q2988C0R
					More data for this Ligand-Target Pair				3D Structure (crystal)

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