Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'scolastico' and Initial = 'c'   

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
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13211 ((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.1	460	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13212 ((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...) Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	61	-40.9	530	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM26205 ((3S,6S,7R,9aS)-6-[(2S)-2-aminobutanamido]-7-(2-ami...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CCN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H39N5O3/c1-2-23(31)27(35)33-26-21(17-18-30)13-14-22-15-16-24(34(22)29(26)37)28(36)32-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-26H,2,13-18,30-31H2,1H3,(H,32,36)(H,33,35)/t21-,22+,23+,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	220	-37.6	250	n/a	n/a	n/a	n/a	7.5	22
University of Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				J Mol Biol 384: 673-89 (2008) Article DOI: 10.1016/j.jmb.2008.09.064 BindingDB Entry DOI: 10.7270/Q2NG4NZ8
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM26203 ((3S,6S,7S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphe...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O4/c1-2-22(29)26(34)31-25-20(17-33)13-14-21-15-16-23(32(21)28(25)36)27(35)30-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,2,13-17,29H2,1H3,(H,30,35)(H,31,34)/t20-,21+,22+,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	250	-37.3	270	n/a	n/a	n/a	n/a	7.5	22
University of Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				J Mol Biol 384: 673-89 (2008) Article DOI: 10.1016/j.jmb.2008.09.064 BindingDB Entry DOI: 10.7270/Q2NG4NZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50003399 (4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13211 ((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	420	-36.0	460	n/a	n/a	n/a	n/a	7.5	22
University of Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				J Mol Biol 384: 673-89 (2008) Article DOI: 10.1016/j.jmb.2008.09.064 BindingDB Entry DOI: 10.7270/Q2NG4NZ8
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM26204 ((3S,6S,7R,9aS)-6-[(2S)-2-aminobutanamido]-7-(amino...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H37N5O3/c1-2-22(30)26(34)32-25-20(17-29)13-14-21-15-16-23(33(21)28(25)36)27(35)31-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25H,2,13-17,29-30H2,1H3,(H,31,35)(H,32,34)/t20-,21+,22+,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	870	-34.2	970	n/a	n/a	n/a	n/a	7.5	22
University of Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				J Mol Biol 384: 673-89 (2008) Article DOI: 10.1016/j.jmb.2008.09.064 BindingDB Entry DOI: 10.7270/Q2NG4NZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470054 (CHEMBL129225) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccnc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-6-18-24-20(22)17(13-26)25(18)12-14-7-9-15(10-8-14)16-5-4-11-23-19(16)21(27)28/h4-5,7-11,26H,2-3,6,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470049 (CHEMBL340682) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cnccc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-4-19-24-20(22)18(13-26)25(19)12-14-5-7-15(8-6-14)17-11-23-10-9-16(17)21(27)28/h5-11,26H,2-4,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470051 (CHEMBL339044) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(o1)-c1ccccc1C(O)=O Show InChI InChI=1S/C20H21ClN2O4/c1-2-3-8-18-22-16(12-24)19(21)23(18)11-13-9-10-17(27-13)14-6-4-5-7-15(14)20(25)26/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470050 (CHEMBL129170) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ncccc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-6-18-24-20(22)17(13-26)25(18)12-14-7-9-15(10-8-14)19-16(21(27)28)5-4-11-23-19/h4-5,7-11,26H,2-3,6,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470052 (CHEMBL127108) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccoc1C(O)=O Show InChI InChI=1S/C20H21ClN2O4/c1-2-3-4-17-22-19(21)16(12-24)23(17)11-13-5-7-14(8-6-13)15-9-10-27-18(15)20(25)26/h5-10,24H,2-4,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470048 (CHEMBL128291) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1ccoc1C(O)=O Show InChI InChI=1S/C20H21ClN2O4/c1-2-3-4-17-22-16(12-24)19(21)23(17)11-13-5-7-14(8-6-13)15-9-10-27-18(15)20(25)26/h5-10,24H,2-4,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470047 (CHEMBL50135) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(s1)-c1ccccc1C(O)=O Show InChI InChI=1S/C20H21ClN2O3S/c1-2-3-8-18-22-19(21)16(12-24)23(18)11-13-9-10-17(27-13)14-6-4-5-7-15(14)20(25)26/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470058 (CHEMBL129005) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(o1)-c1ccccc1C(O)=O Show InChI InChI=1S/C20H21ClN2O4/c1-2-3-8-18-22-19(21)16(12-24)23(18)11-13-9-10-17(27-13)14-6-4-5-7-15(14)20(25)26/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470055 (CHEMBL125790) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1ncccc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-6-18-24-17(13-26)20(22)25(18)12-14-7-9-15(10-8-14)19-16(21(27)28)5-4-11-23-19/h4-5,7-11,26H,2-3,6,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470057 (CHEMBL129336) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1nc(C)sc1C(O)=O Show InChI InChI=1S/C20H22ClN3O3S/c1-3-4-5-16-23-15(11-25)19(21)24(16)10-13-6-8-14(9-7-13)17-18(20(26)27)28-12(2)22-17/h6-9,25H,3-5,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470059 (CHEMBL338840) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1nc(C)sc1C(O)=O Show InChI InChI=1S/C20H22ClN3O3S/c1-3-4-5-16-23-19(21)15(11-25)24(16)10-13-6-8-14(9-7-13)17-18(20(26)27)28-12(2)22-17/h6-9,25H,3-5,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470060 (CHEMBL125789) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1cccnc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-6-18-24-17(13-26)20(22)25(18)12-14-7-9-15(10-8-14)16-5-4-11-23-19(16)21(27)28/h4-5,7-11,26H,2-3,6,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470053 (CHEMBL125621) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(s1)-c1ccccc1C(O)=O Show InChI InChI=1S/C20H21ClN2O3S/c1-2-3-8-18-22-16(12-24)19(21)23(18)11-13-9-10-17(27-13)14-6-4-5-7-15(14)20(25)26/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470056 (CHEMBL129006) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccsc1C(O)=O Show InChI InChI=1S/C20H21ClN2O3S/c1-2-3-4-17-22-19(21)16(12-24)23(17)11-13-5-7-14(8-6-13)15-9-10-27-18(15)20(25)26/h5-10,24H,2-4,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401475 (CHEMBL2205248) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCNC(=O)CCC#CC#CCCC(=O)NCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N12)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C62H86N12O12/c1-5-45(63-3)55(79)71-53-41(37-75)25-27-43-29-31-47(73(43)61(53)85)57(81)69-51(39-19-13-11-14-20-39)59(83)67-35-33-65-49(77)23-17-9-7-8-10-18-24-50(78)66-34-36-68-60(84)52(40-21-15-12-16-22-40)70-58(82)48-32-30-44-28-26-42(38-76)54(62(86)74(44)48)72-56(80)46(6-2)64-4/h11-16,19-22,41-48,51-54,63-64,75-76H,5-6,17-18,23-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,83)(H,68,84)(H,69,81)(H,70,82)(H,71,79)(H,72,80)/t41-,42-,43+,44+,45+,46+,47+,48+,51+,52+,53+,54+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401483 (CHEMBL2204574) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCC#CC#CCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C70H88N10O8/c1-5-55(71-3)65(83)77-63-51(37-39-53-41-43-57(79(53)69(63)87)67(85)75-61(47-27-17-13-18-28-47)48-29-19-14-20-30-48)45-73-59(81)35-25-11-9-7-8-10-12-26-36-60(82)74-46-52-38-40-54-42-44-58(80(54)70(88)64(52)78-66(84)56(6-2)72-4)68(86)76-62(49-31-21-15-22-32-49)50-33-23-16-24-34-50/h13-24,27-34,51-58,61-64,71-72H,5-6,11-12,25-26,35-46H2,1-4H3,(H,73,81)(H,74,82)(H,75,85)(H,76,86)(H,77,83)(H,78,84)/t51-,52-,53+,54+,55+,56+,57+,58+,63+,64+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401484 (CHEMBL2204575) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCCCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C68H92N10O8/c1-5-53(69-3)63(81)75-61-49(35-37-51-39-41-55(77(51)67(61)85)65(83)73-59(45-25-15-11-16-26-45)46-27-17-12-18-28-46)43-71-57(79)33-23-9-7-8-10-24-34-58(80)72-44-50-36-38-52-40-42-56(78(52)68(86)62(50)76-64(82)54(6-2)70-4)66(84)74-60(47-29-19-13-20-30-47)48-31-21-14-22-32-48/h11-22,25-32,49-56,59-62,69-70H,5-10,23-24,33-44H2,1-4H3,(H,71,79)(H,72,80)(H,73,83)(H,74,84)(H,75,81)(H,76,82)/t49-,50-,51+,52+,53+,54+,55+,56+,61+,62+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401477 (CHEMBL2204567) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C67H95N13O12/c1-5-52(68-3)61(83)74-59-47(22-25-50-27-29-54(79(50)66(59)88)63(85)72-57(44-16-10-7-11-17-44)45-18-12-8-13-19-45)32-33-70-56(82)31-24-49-42-78(77-76-49)35-37-91-39-41-92-40-38-90-36-34-71-65(87)58(46-20-14-9-15-21-46)73-64(86)55-30-28-51-26-23-48(43-81)60(67(89)80(51)55)75-62(84)53(6-2)69-4/h7-21,42,47-48,50-55,57-60,68-69,81H,5-6,22-41,43H2,1-4H3,(H,70,82)(H,71,87)(H,72,85)(H,73,86)(H,74,83)(H,75,84)/t47-,48-,50+,51+,52+,53+,54+,55+,58+,59+,60+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401493 (CHEMBL2205246) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N12)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C58H88N10O13/c1-5-43(59-3)51(71)65-49-39(35-69)19-21-41-23-25-45(67(41)57(49)77)53(73)63-47(37-15-9-7-10-16-37)55(75)61-27-13-29-79-31-33-81-34-32-80-30-14-28-62-56(76)48(38-17-11-8-12-18-38)64-54(74)46-26-24-42-22-20-40(36-70)50(58(78)68(42)46)66-52(72)44(6-2)60-4/h7-12,15-18,39-50,59-60,69-70H,5-6,13-14,19-36H2,1-4H3,(H,61,75)(H,62,76)(H,63,73)(H,64,74)(H,65,71)(H,66,72)/t39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401489 (CHEMBL2204580) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCNc2c(NCCC(=O)NC[C@H]3CC[C@H]4CC[C@H](N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)C(=O)NC(c3ccccc3)c3ccccc3)c(=O)c2=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C68H86N12O10/c1-5-49(69-3)63(85)77-57-45(27-29-47-31-33-51(79(47)67(57)89)65(87)75-55(41-19-11-7-12-20-41)42-21-13-8-14-22-42)39-73-53(81)35-37-71-59-60(62(84)61(59)83)72-38-36-54(82)74-40-46-28-30-48-32-34-52(80(48)68(90)58(46)78-64(86)50(6-2)70-4)66(88)76-56(43-23-15-9-16-24-43)44-25-17-10-18-26-44/h7-26,45-52,55-58,69-72H,5-6,27-40H2,1-4H3,(H,73,81)(H,74,82)(H,75,87)(H,76,88)(H,77,85)(H,78,86)/t45-,46-,47+,48+,49+,50+,51+,52+,57+,58+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401481 (CHEMBL2204572) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)c2cn(C[C@H]3CC[C@H]4CC[C@H](N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)C(=O)NC(c3ccccc3)c3ccccc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C61H76N12O7/c1-5-46(62-3)56(75)67-53-42(27-29-44-31-33-49(72(44)60(53)79)58(77)65-51(38-19-11-7-12-20-38)39-21-13-8-14-22-39)35-64-55(74)48-37-71(70-69-48)36-43-28-30-45-32-34-50(73(45)61(80)54(43)68-57(76)47(6-2)63-4)59(78)66-52(40-23-15-9-16-24-40)41-25-17-10-18-26-41/h7-26,37,42-47,49-54,62-63H,5-6,27-36H2,1-4H3,(H,64,74)(H,65,77)(H,66,78)(H,67,75)(H,68,76)/t42-,43-,44+,45+,46+,47+,49+,50+,53+,54+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401485 (CHEMBL2204576) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)COCCOCCOCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C66H88N10O11/c1-5-51(67-3)61(79)73-59-47(27-29-49-31-33-53(75(49)65(59)83)63(81)71-57(43-19-11-7-12-20-43)44-21-13-8-14-22-44)39-69-55(77)41-86-37-35-85-36-38-87-42-56(78)70-40-48-28-30-50-32-34-54(76(50)66(84)60(48)74-62(80)52(6-2)68-4)64(82)72-58(45-23-15-9-16-24-45)46-25-17-10-18-26-46/h7-26,47-54,57-60,67-68H,5-6,27-42H2,1-4H3,(H,69,77)(H,70,78)(H,71,81)(H,72,82)(H,73,79)(H,74,80)/t47-,48-,49+,50+,51+,52+,53+,54+,59+,60+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401492 (CHEMBL2204582) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCCCCCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N12)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C56H84N10O10/c1-5-41(57-3)49(69)63-47-37(33-67)23-25-39-27-29-43(65(39)55(47)75)51(71)61-45(35-19-13-11-14-20-35)53(73)59-31-17-9-7-8-10-18-32-60-54(74)46(36-21-15-12-16-22-36)62-52(72)44-30-28-40-26-24-38(34-68)48(56(76)66(40)44)64-50(70)42(6-2)58-4/h11-16,19-22,37-48,57-58,67-68H,5-10,17-18,23-34H2,1-4H3,(H,59,73)(H,60,74)(H,61,71)(H,62,72)(H,63,69)(H,64,70)/t37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401488 (CHEMBL2204579) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCc2cn(CCCCc3ccc(CCCCn4cc(CCCCC(=O)NC[C@H]5CC[C@H]6CC[C@H](N6C(=O)[C@H]5NC(=O)[C@H](CC)NC)C(=O)NC(c5ccccc5)c5ccccc5)nn4)cc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C86H114N16O8/c1-5-71(87-3)81(105)93-79-65(45-47-69-49-51-73(101(69)85(79)109)83(107)91-77(61-29-11-7-12-30-61)62-31-13-8-14-32-62)55-89-75(103)39-21-19-37-67-57-99(97-95-67)53-25-23-27-59-41-43-60(44-42-59)28-24-26-54-100-58-68(96-98-100)38-20-22-40-76(104)90-56-66-46-48-70-50-52-74(102(70)86(110)80(66)94-82(106)72(6-2)88-4)84(108)92-78(63-33-15-9-16-34-63)64-35-17-10-18-36-64/h7-18,29-36,41-44,57-58,65-66,69-74,77-80,87-88H,5-6,19-28,37-40,45-56H2,1-4H3,(H,89,103)(H,90,104)(H,91,107)(H,92,108)(H,93,105)(H,94,106)/t65-,66-,69+,70+,71+,72+,73+,74+,79+,80+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401474 (CHEMBL2205247) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCCCCNc1c(NCCCCCNC(=O)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N23)c2ccccc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C62H90N12O12/c1-5-43(63-3)55(79)71-49-39(35-75)23-25-41-27-29-45(73(41)61(49)85)57(81)69-47(37-19-11-7-12-20-37)59(83)67-33-17-9-15-31-65-51-52(54(78)53(51)77)66-32-16-10-18-34-68-60(84)48(38-21-13-8-14-22-38)70-58(82)46-30-28-42-26-24-40(36-76)50(62(86)74(42)46)72-56(80)44(6-2)64-4/h7-8,11-14,19-22,39-50,63-66,75-76H,5-6,9-10,15-18,23-36H2,1-4H3,(H,67,83)(H,68,84)(H,69,81)(H,70,82)(H,71,79)(H,72,80)/t39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401482 (CHEMBL2204573) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCc2cn(C[C@H]3CC[C@H]4CC[C@H](N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)C(=O)NC(c3ccccc3)c3ccccc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C63H80N12O7/c1-5-49(64-3)58(77)69-56-44(27-30-47-32-34-51(74(47)62(56)81)60(79)67-54(40-19-11-7-12-20-40)41-21-13-8-14-22-41)37-66-53(76)36-29-46-39-73(72-71-46)38-45-28-31-48-33-35-52(75(48)63(82)57(45)70-59(78)50(6-2)65-4)61(80)68-55(42-23-15-9-16-24-42)43-25-17-10-18-26-43/h7-26,39,44-45,47-52,54-57,64-65H,5-6,27-38H2,1-4H3,(H,66,76)(H,67,79)(H,68,80)(H,69,77)(H,70,78)/t44-,45-,47+,48+,49+,50+,51+,52+,56+,57+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401487 (CHEMBL2204578) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCCC#CC#CCCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C73H94N10O8/c1-5-58(74-3)68(86)80-66-54(40-42-56-44-46-60(82(56)72(66)90)70(88)78-64(50-30-20-16-21-31-50)51-32-22-17-23-33-51)48-76-62(84)38-28-14-12-10-8-7-9-11-13-15-29-39-63(85)77-49-55-41-43-57-45-47-61(83(57)73(91)67(55)81-69(87)59(6-2)75-4)71(89)79-65(52-34-24-18-25-35-52)53-36-26-19-27-37-53/h16-27,30-37,54-61,64-67,74-75H,5-6,10,12-15,28-29,38-49H2,1-4H3,(H,76,84)(H,77,85)(H,78,88)(H,79,89)(H,80,86)(H,81,87)/t54-,55-,56+,57+,58+,59+,60+,61+,66+,67+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401479 (CHEMBL2204569) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@H](CC)NC)C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C65H93N11O14/c1-5-49(66-3)59(80)73-57-45(22-24-47-26-28-51(75(47)64(57)85)61(82)71-55(42-16-10-7-11-17-42)43-18-12-8-13-19-43)38-70-54(79)41-90-40-53(78)68-30-32-87-34-36-89-37-35-88-33-31-69-63(84)56(44-20-14-9-15-21-44)72-62(83)52-29-27-48-25-23-46(39-77)58(65(86)76(48)52)74-60(81)50(6-2)67-4/h7-21,45-52,55-58,66-67,77H,5-6,22-41H2,1-4H3,(H,68,78)(H,69,84)(H,70,79)(H,71,82)(H,72,83)(H,73,80)(H,74,81)/t45-,46-,47+,48+,49+,50+,51+,52+,56+,57+,58+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401480 (CHEMBL2204571) Show SMILES CN[C@@H](C)C(=O)N[C@@H]([C@H](C)OCC#CC#CCO[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1 |r| Show InChI InChI=1S/C46H60N14O6S2/c1-31(47-5)41(61)49-39(43(63)57-25-17-19-35(57)29-59-45(51-53-55-59)67-37-21-11-9-12-22-37)33(3)65-27-15-7-8-16-28-66-34(4)40(50-42(62)32(2)48-6)44(64)58-26-18-20-36(58)30-60-46(52-54-56-60)68-38-23-13-10-14-24-38/h9-14,21-24,31-36,39-40,47-48H,17-20,25-30H2,1-6H3,(H,49,61)(H,50,62)/t31-,32-,33-,34-,35-,36-,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401488 (CHEMBL2204579) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCc2cn(CCCCc3ccc(CCCCn4cc(CCCCC(=O)NC[C@H]5CC[C@H]6CC[C@H](N6C(=O)[C@H]5NC(=O)[C@H](CC)NC)C(=O)NC(c5ccccc5)c5ccccc5)nn4)cc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C86H114N16O8/c1-5-71(87-3)81(105)93-79-65(45-47-69-49-51-73(101(69)85(79)109)83(107)91-77(61-29-11-7-12-30-61)62-31-13-8-14-32-62)55-89-75(103)39-21-19-37-67-57-99(97-95-67)53-25-23-27-59-41-43-60(44-42-59)28-24-26-54-100-58-68(96-98-100)38-20-22-40-76(104)90-56-66-46-48-70-50-52-74(102(70)86(110)80(66)94-82(106)72(6-2)88-4)84(108)92-78(63-33-15-9-16-34-63)64-35-17-10-18-36-64/h7-18,29-36,41-44,57-58,65-66,69-74,77-80,87-88H,5-6,19-28,37-40,45-56H2,1-4H3,(H,89,103)(H,90,104)(H,91,107)(H,92,108)(H,93,105)(H,94,106)/t65-,66-,69+,70+,71+,72+,73+,74+,79+,80+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401487 (CHEMBL2204578) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCCC#CC#CCCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C73H94N10O8/c1-5-58(74-3)68(86)80-66-54(40-42-56-44-46-60(82(56)72(66)90)70(88)78-64(50-30-20-16-21-31-50)51-32-22-17-23-33-51)48-76-62(84)38-28-14-12-10-8-7-9-11-13-15-29-39-63(85)77-49-55-41-43-57-45-47-61(83(57)73(91)67(55)81-69(87)59(6-2)75-4)71(89)79-65(52-34-24-18-25-35-52)53-36-26-19-27-37-53/h16-27,30-37,54-61,64-67,74-75H,5-6,10,12-15,28-29,38-49H2,1-4H3,(H,76,84)(H,77,85)(H,78,88)(H,79,89)(H,80,86)(H,81,87)/t54-,55-,56+,57+,58+,59+,60+,61+,66+,67+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401483 (CHEMBL2204574) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCC#CC#CCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C70H88N10O8/c1-5-55(71-3)65(83)77-63-51(37-39-53-41-43-57(79(53)69(63)87)67(85)75-61(47-27-17-13-18-28-47)48-29-19-14-20-30-48)45-73-59(81)35-25-11-9-7-8-10-12-26-36-60(82)74-46-52-38-40-54-42-44-58(80(54)70(88)64(52)78-66(84)56(6-2)72-4)68(86)76-62(49-31-21-15-22-32-49)50-33-23-16-24-34-50/h13-24,27-34,51-58,61-64,71-72H,5-6,11-12,25-26,35-46H2,1-4H3,(H,73,81)(H,74,82)(H,75,85)(H,76,86)(H,77,83)(H,78,84)/t51-,52-,53+,54+,55+,56+,57+,58+,63+,64+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401476 (CHEMBL2205249) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CC[C@H](CNCc5ccccc5)[C@H](NC(=O)[C@H](CC)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C78H102N16O6/c1-5-63(79-3)73(95)85-71-59(49-81-47-55-25-11-7-12-26-55)37-39-61-41-43-67(93(61)77(71)99)75(97)83-69(57-29-15-9-16-30-57)65-51-91(89-87-65)45-21-19-23-53-33-35-54(36-34-53)24-20-22-46-92-52-66(88-90-92)70(58-31-17-10-18-32-58)84-76(98)68-44-42-62-40-38-60(50-82-48-56-27-13-8-14-28-56)72(78(100)94(62)68)86-74(96)64(6-2)80-4/h7-18,25-36,51-52,59-64,67-72,79-82H,5-6,19-24,37-50H2,1-4H3,(H,83,97)(H,84,98)(H,85,95)(H,86,96)/t59-,60-,61+,62+,63+,64+,67+,68+,69+,70+,71+,72+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401478 (CHEMBL2204568) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCc1cn(C[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C66H93N13O12/c1-5-51(67-3)60(82)73-58-46(22-25-49-27-29-53(78(49)65(58)87)62(84)71-56(43-16-10-7-11-17-43)44-18-12-8-13-19-44)40-77-41-48(75-76-77)24-31-55(81)69-32-34-89-36-38-91-39-37-90-35-33-70-64(86)57(45-20-14-9-15-21-45)72-63(85)54-30-28-50-26-23-47(42-80)59(66(88)79(50)54)74-61(83)52(6-2)68-4/h7-21,41,46-47,49-54,56-59,67-68,80H,5-6,22-40,42H2,1-4H3,(H,69,81)(H,70,86)(H,71,84)(H,72,85)(H,73,82)(H,74,83)/t46-,47-,49+,50+,51+,52+,53+,54+,57+,58+,59+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401490 (CHEMBL2204570) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](Cn2cc(CO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N3CCC[C@H]3Cn3nnnc3Sc3ccccc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C51H66N14O6S/c1-5-41(52)47(67)56-45-36(23-24-38-25-26-42(65(38)50(45)70)48(68)55-44(34-16-9-6-10-17-34)35-18-11-7-12-19-35)28-62-29-37(57-60-62)31-71-33(3)43(54-46(66)32(2)53-4)49(69)63-27-15-20-39(63)30-64-51(58-59-61-64)72-40-21-13-8-14-22-40/h6-14,16-19,21-22,29,32-33,36,38-39,41-45,53H,5,15,20,23-28,30-31,52H2,1-4H3,(H,54,66)(H,55,68)(H,56,67)/t32-,33+,36+,38-,39-,41-,42-,43-,45-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401491 (CHEMBL2204581) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C64H88N14O8/c1-5-49(65-3)59(81)69-57-45(39-79)27-29-47-31-33-53(77(47)63(57)85)61(83)67-55(43-19-9-7-10-20-43)51-37-75(73-71-51)35-15-13-17-41-23-25-42(26-24-41)18-14-16-36-76-38-52(72-74-76)56(44-21-11-8-12-22-44)68-62(84)54-34-32-48-30-28-46(40-80)58(64(86)78(48)54)70-60(82)50(6-2)66-4/h7-12,19-26,37-38,45-50,53-58,65-66,79-80H,5-6,13-18,27-36,39-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,81)(H,70,82)/t45-,46-,47+,48+,49+,50+,53+,54+,55+,56+,57+,58+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401484 (CHEMBL2204575) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCCCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C68H92N10O8/c1-5-53(69-3)63(81)75-61-49(35-37-51-39-41-55(77(51)67(61)85)65(83)73-59(45-25-15-11-16-26-45)46-27-17-12-18-28-46)43-71-57(79)33-23-9-7-8-10-24-34-58(80)72-44-50-36-38-52-40-42-56(78(52)68(86)62(50)76-64(82)54(6-2)70-4)66(84)74-60(47-29-19-13-20-30-47)48-31-21-14-22-32-48/h11-22,25-32,49-56,59-62,69-70H,5-10,23-24,33-44H2,1-4H3,(H,71,79)(H,72,80)(H,73,83)(H,74,84)(H,75,81)(H,76,82)/t49-,50-,51+,52+,53+,54+,55+,56+,61+,62+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401482 (CHEMBL2204573) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCc2cn(C[C@H]3CC[C@H]4CC[C@H](N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)C(=O)NC(c3ccccc3)c3ccccc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C63H80N12O7/c1-5-49(64-3)58(77)69-56-44(27-30-47-32-34-51(74(47)62(56)81)60(79)67-54(40-19-11-7-12-20-40)41-21-13-8-14-22-41)37-66-53(76)36-29-46-39-73(72-71-46)38-45-28-31-48-33-35-52(75(48)63(82)57(45)70-59(78)50(6-2)65-4)61(80)68-55(42-23-15-9-16-24-42)43-25-17-10-18-26-43/h7-26,39,44-45,47-52,54-57,64-65H,5-6,27-38H2,1-4H3,(H,66,76)(H,67,79)(H,68,80)(H,69,77)(H,70,78)/t44-,45-,47+,48+,49+,50+,51+,52+,56+,57+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401480 (CHEMBL2204571) Show SMILES CN[C@@H](C)C(=O)N[C@@H]([C@H](C)OCC#CC#CCO[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1 |r| Show InChI InChI=1S/C46H60N14O6S2/c1-31(47-5)41(61)49-39(43(63)57-25-17-19-35(57)29-59-45(51-53-55-59)67-37-21-11-9-12-22-37)33(3)65-27-15-7-8-16-28-66-34(4)40(50-42(62)32(2)48-6)44(64)58-26-18-20-36(58)30-60-46(52-54-56-60)68-38-23-13-10-14-24-38/h9-14,21-24,31-36,39-40,47-48H,17-20,25-30H2,1-6H3,(H,49,61)(H,50,62)/t31-,32-,33-,34-,35-,36-,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401485 (CHEMBL2204576) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)COCCOCCOCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C66H88N10O11/c1-5-51(67-3)61(79)73-59-47(27-29-49-31-33-53(75(49)65(59)83)63(81)71-57(43-19-11-7-12-20-43)44-21-13-8-14-22-44)39-69-55(77)41-86-37-35-85-36-38-87-42-56(78)70-40-48-28-30-50-32-34-54(76(50)66(84)60(48)74-62(80)52(6-2)68-4)64(82)72-58(45-23-15-9-16-24-45)46-25-17-10-18-26-46/h7-26,47-54,57-60,67-68H,5-6,27-42H2,1-4H3,(H,69,77)(H,70,78)(H,71,81)(H,72,82)(H,73,79)(H,74,80)/t47-,48-,49+,50+,51+,52+,53+,54+,59+,60+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401481 (CHEMBL2204572) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)c2cn(C[C@H]3CC[C@H]4CC[C@H](N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)C(=O)NC(c3ccccc3)c3ccccc3)nn2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C61H76N12O7/c1-5-46(62-3)56(75)67-53-42(27-29-44-31-33-49(72(44)60(53)79)58(77)65-51(38-19-11-7-12-20-38)39-21-13-8-14-22-39)35-64-55(74)48-37-71(70-69-48)36-43-28-30-45-32-34-50(73(45)61(80)54(43)68-57(76)47(6-2)63-4)59(78)66-52(40-23-15-9-16-24-40)41-25-17-10-18-26-41/h7-26,37,42-47,49-54,62-63H,5-6,27-36H2,1-4H3,(H,64,74)(H,65,77)(H,66,78)(H,67,75)(H,68,76)/t42-,43-,44+,45+,46+,47+,49+,50+,53+,54+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50401486 (CHEMBL2204577) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)COCCOCCOCCOCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C68H92N10O12/c1-5-53(69-3)63(81)75-61-49(27-29-51-31-33-55(77(51)67(61)85)65(83)73-59(45-19-11-7-12-20-45)46-21-13-8-14-22-46)41-71-57(79)43-89-39-37-87-35-36-88-38-40-90-44-58(80)72-42-50-28-30-52-32-34-56(78(52)68(86)62(50)76-64(82)54(6-2)70-4)66(84)74-60(47-23-15-9-16-24-47)48-25-17-10-18-26-48/h7-26,49-56,59-62,69-70H,5-6,27-44H2,1-4H3,(H,71,79)(H,72,80)(H,73,83)(H,74,84)(H,75,81)(H,76,82)/t49-,50-,51+,52+,53+,54+,55+,56+,61+,62+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.2	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401476 (CHEMBL2205249) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CC[C@H](CNCc5ccccc5)[C@H](NC(=O)[C@H](CC)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r| Show InChI InChI=1S/C78H102N16O6/c1-5-63(79-3)73(95)85-71-59(49-81-47-55-25-11-7-12-26-55)37-39-61-41-43-67(93(61)77(71)99)75(97)83-69(57-29-15-9-16-30-57)65-51-91(89-87-65)45-21-19-23-53-33-35-54(36-34-53)24-20-22-46-92-52-66(88-90-92)70(58-31-17-10-18-32-58)84-76(98)68-44-42-62-40-38-60(50-82-48-56-27-13-8-14-28-56)72(78(100)94(62)68)86-74(96)64(6-2)80-4/h7-18,25-36,51-52,59-64,67-72,79-82H,5-6,19-24,37-50H2,1-4H3,(H,83,97)(H,84,98)(H,85,95)(H,86,96)/t59-,60-,61+,62+,63+,64+,67+,68+,69+,70+,71+,72+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.6	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair

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