Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'krajewski' and Initial = 'k'   

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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31202 (JMC493432 Compound 8 | MI-63) Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |r| Show InChI InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23+,25-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.3	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50196034 (CHEMBL410802 | QEDIIRNIARHLAQVGDSMDR) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:27.27,129.129,35.39,70.70,104.105,143.143,8.12,2.2,118.118,86.85,wD:31.31,75.74,59.59,63.63,43.48,137.137,16.23,109.109,52.52,4.4,159.159,151.151,96.96,(58.76,-35.75,;58.76,-37.29,;57.42,-38.06,;56.09,-37.29,;57.42,-39.6,;58.76,-40.37,;60.09,-39.6,;60.09,-38.06,;61.42,-40.37,;61.42,-41.91,;60.09,-42.68,;60.09,-44.22,;58.76,-41.91,;62.76,-39.6,;64.09,-40.37,;64.09,-41.91,;65.43,-39.6,;65.43,-38.06,;66.76,-37.29,;66.76,-35.75,;68.09,-34.98,;68.09,-33.44,;69.43,-32.67,;66.76,-32.67,;66.76,-40.37,;68.09,-39.6,;68.09,-38.06,;69.43,-40.37,;70.76,-39.6,;72.09,-40.37,;72.09,-41.91,;73.43,-39.6,;74.76,-40.37,;76.09,-39.6,;76.09,-38.06,;77.43,-40.37,;77.43,-41.91,;76.09,-42.68,;74.76,-41.91,;76.09,-44.22,;78.76,-39.6,;80.1,-40.37,;80.1,-41.91,;81.43,-39.6,;81.43,-38.06,;80.1,-37.29,;80.1,-35.75,;78.76,-34.98,;81.43,-34.98,;82.76,-40.37,;84.1,-39.6,;84.1,-38.06,;85.43,-40.37,;85.43,-41.91,;86.76,-39.6,;88.1,-40.37,;89.43,-39.6,;90.77,-40.37,;89.43,-38.06,;73.43,-38.06,;74.76,-37.29,;72.09,-37.29,;72.09,-35.75,;69.43,-41.91,;68.09,-42.68,;70.76,-42.68,;70.76,-44.22,;56.09,-40.37,;56.09,-41.91,;54.76,-39.6,;53.42,-40.37,;53.42,-41.91,;52.09,-39.6,;52.09,-38.06,;50.75,-40.37,;49.42,-39.6,;49.42,-38.06,;48.09,-37.29,;46.75,-38.06,;45.42,-37.29,;45.42,-35.75,;46.75,-34.98,;44.09,-34.98,;48.09,-40.37,;48.99,-41.62,;46.75,-39.6,;45.42,-40.37,;45.42,-41.91,;46.75,-42.68,;46.91,-44.21,;48.42,-44.53,;49.19,-43.2,;48.16,-42.05,;44.09,-39.6,;44.09,-38.06,;42.75,-40.37,;41.42,-39.6,;41.42,-38.06,;40.09,-37.29,;38.75,-38.06,;40.09,-35.75,;40.09,-40.37,;40.09,-41.91,;38.75,-39.6,;37.42,-40.37,;37.42,-41.91,;36.08,-39.6,;36.08,-38.06,;34.75,-40.37,;33.42,-39.6,;33.42,-38.06,;32.08,-37.29,;32.08,-35.75,;30.75,-34.98,;33.42,-34.98,;32.08,-40.37,;32.08,-41.91,;30.75,-39.6,;29.42,-40.37,;29.42,-41.91,;28.08,-42.68,;30.75,-42.68,;28.08,-39.6,;28.08,-38.06,;26.75,-40.37,;25.41,-39.6,;24.08,-40.37,;24.08,-41.91,;22.75,-39.6,;21.41,-40.37,;21.41,-41.91,;20.08,-42.68,;20.08,-44.22,;18.75,-41.91,;20.08,-39.6,;20.08,-38.06,;18.75,-40.37,;17.41,-39.6,;17.41,-38.06,;16.08,-37.29,;16.08,-40.37,;16.08,-41.91,;14.75,-39.6,;13.41,-40.37,;13.41,-41.91,;12.08,-42.68,;12.08,-44.22,;10.74,-44.99,;12.08,-39.6,;12.08,-38.06,;10.74,-40.37,;9.41,-39.6,;9.41,-38.06,;8.08,-37.29,;8.08,-35.75,;6.74,-38.06,;8.08,-40.37,;8.08,-41.91,;6.74,-39.6,;5.41,-40.37,;4.08,-39.6,;2.74,-40.37,;1.41,-39.6,;.08,-40.37,;-1.26,-39.6,;-2.59,-40.37,;-1.26,-38.06,;5.41,-41.91,;4.08,-42.68,;6.74,-42.68,)| Show InChI InChI=1S/C100H169N35O34S/c1-14-46(8)75(133-90(161)61(36-68(104)139)128-82(153)54(21-18-31-113-99(107)108)124-95(166)76(47(9)15-2)135-96(167)77(48(10)16-3)134-91(162)64(39-73(147)148)130-83(154)56(25-28-70(141)142)122-80(151)52(101)23-26-66(102)137)94(165)118-50(12)79(150)120-53(20-17-30-112-98(105)106)81(152)127-60(35-51-40-111-43-116-51)87(158)126-59(34-44(4)5)86(157)117-49(11)78(149)121-55(24-27-67(103)138)85(156)132-74(45(6)7)93(164)115-41-69(140)119-62(37-71(143)144)88(159)131-65(42-136)92(163)123-57(29-33-170-13)84(155)129-63(38-72(145)146)89(160)125-58(97(168)169)22-19-32-114-100(109)110/h40,43-50,52-65,74-77,136H,14-39,41-42,101H2,1-13H3,(H2,102,137)(H2,103,138)(H2,104,139)(H,111,116)(H,115,164)(H,117,157)(H,118,165)(H,119,140)(H,120,150)(H,121,149)(H,122,151)(H,123,163)(H,124,166)(H,125,160)(H,126,158)(H,127,152)(H,128,153)(H,129,155)(H,130,154)(H,131,159)(H,132,156)(H,133,161)(H,134,162)(H,135,167)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,168,169)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/t46-,47-,48-,49-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,74-,75-,76-,77-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bak from human Bcl-xL by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196034 (CHEMBL410802 | QEDIIRNIARHLAQVGDSMDR) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:27.27,129.129,35.39,70.70,104.105,143.143,8.12,2.2,118.118,86.85,wD:31.31,75.74,59.59,63.63,43.48,137.137,16.23,109.109,52.52,4.4,159.159,151.151,96.96,(58.76,-35.75,;58.76,-37.29,;57.42,-38.06,;56.09,-37.29,;57.42,-39.6,;58.76,-40.37,;60.09,-39.6,;60.09,-38.06,;61.42,-40.37,;61.42,-41.91,;60.09,-42.68,;60.09,-44.22,;58.76,-41.91,;62.76,-39.6,;64.09,-40.37,;64.09,-41.91,;65.43,-39.6,;65.43,-38.06,;66.76,-37.29,;66.76,-35.75,;68.09,-34.98,;68.09,-33.44,;69.43,-32.67,;66.76,-32.67,;66.76,-40.37,;68.09,-39.6,;68.09,-38.06,;69.43,-40.37,;70.76,-39.6,;72.09,-40.37,;72.09,-41.91,;73.43,-39.6,;74.76,-40.37,;76.09,-39.6,;76.09,-38.06,;77.43,-40.37,;77.43,-41.91,;76.09,-42.68,;74.76,-41.91,;76.09,-44.22,;78.76,-39.6,;80.1,-40.37,;80.1,-41.91,;81.43,-39.6,;81.43,-38.06,;80.1,-37.29,;80.1,-35.75,;78.76,-34.98,;81.43,-34.98,;82.76,-40.37,;84.1,-39.6,;84.1,-38.06,;85.43,-40.37,;85.43,-41.91,;86.76,-39.6,;88.1,-40.37,;89.43,-39.6,;90.77,-40.37,;89.43,-38.06,;73.43,-38.06,;74.76,-37.29,;72.09,-37.29,;72.09,-35.75,;69.43,-41.91,;68.09,-42.68,;70.76,-42.68,;70.76,-44.22,;56.09,-40.37,;56.09,-41.91,;54.76,-39.6,;53.42,-40.37,;53.42,-41.91,;52.09,-39.6,;52.09,-38.06,;50.75,-40.37,;49.42,-39.6,;49.42,-38.06,;48.09,-37.29,;46.75,-38.06,;45.42,-37.29,;45.42,-35.75,;46.75,-34.98,;44.09,-34.98,;48.09,-40.37,;48.99,-41.62,;46.75,-39.6,;45.42,-40.37,;45.42,-41.91,;46.75,-42.68,;46.91,-44.21,;48.42,-44.53,;49.19,-43.2,;48.16,-42.05,;44.09,-39.6,;44.09,-38.06,;42.75,-40.37,;41.42,-39.6,;41.42,-38.06,;40.09,-37.29,;38.75,-38.06,;40.09,-35.75,;40.09,-40.37,;40.09,-41.91,;38.75,-39.6,;37.42,-40.37,;37.42,-41.91,;36.08,-39.6,;36.08,-38.06,;34.75,-40.37,;33.42,-39.6,;33.42,-38.06,;32.08,-37.29,;32.08,-35.75,;30.75,-34.98,;33.42,-34.98,;32.08,-40.37,;32.08,-41.91,;30.75,-39.6,;29.42,-40.37,;29.42,-41.91,;28.08,-42.68,;30.75,-42.68,;28.08,-39.6,;28.08,-38.06,;26.75,-40.37,;25.41,-39.6,;24.08,-40.37,;24.08,-41.91,;22.75,-39.6,;21.41,-40.37,;21.41,-41.91,;20.08,-42.68,;20.08,-44.22,;18.75,-41.91,;20.08,-39.6,;20.08,-38.06,;18.75,-40.37,;17.41,-39.6,;17.41,-38.06,;16.08,-37.29,;16.08,-40.37,;16.08,-41.91,;14.75,-39.6,;13.41,-40.37,;13.41,-41.91,;12.08,-42.68,;12.08,-44.22,;10.74,-44.99,;12.08,-39.6,;12.08,-38.06,;10.74,-40.37,;9.41,-39.6,;9.41,-38.06,;8.08,-37.29,;8.08,-35.75,;6.74,-38.06,;8.08,-40.37,;8.08,-41.91,;6.74,-39.6,;5.41,-40.37,;4.08,-39.6,;2.74,-40.37,;1.41,-39.6,;.08,-40.37,;-1.26,-39.6,;-2.59,-40.37,;-1.26,-38.06,;5.41,-41.91,;4.08,-42.68,;6.74,-42.68,)| Show InChI InChI=1S/C100H169N35O34S/c1-14-46(8)75(133-90(161)61(36-68(104)139)128-82(153)54(21-18-31-113-99(107)108)124-95(166)76(47(9)15-2)135-96(167)77(48(10)16-3)134-91(162)64(39-73(147)148)130-83(154)56(25-28-70(141)142)122-80(151)52(101)23-26-66(102)137)94(165)118-50(12)79(150)120-53(20-17-30-112-98(105)106)81(152)127-60(35-51-40-111-43-116-51)87(158)126-59(34-44(4)5)86(157)117-49(11)78(149)121-55(24-27-67(103)138)85(156)132-74(45(6)7)93(164)115-41-69(140)119-62(37-71(143)144)88(159)131-65(42-136)92(163)123-57(29-33-170-13)84(155)129-63(38-72(145)146)89(160)125-58(97(168)169)22-19-32-114-100(109)110/h40,43-50,52-65,74-77,136H,14-39,41-42,101H2,1-13H3,(H2,102,137)(H2,103,138)(H2,104,139)(H,111,116)(H,115,164)(H,117,157)(H,118,165)(H,119,140)(H,120,150)(H,121,149)(H,122,151)(H,123,163)(H,124,166)(H,125,160)(H,126,158)(H,127,152)(H,128,153)(H,129,155)(H,130,154)(H,131,159)(H,132,156)(H,133,161)(H,134,162)(H,135,167)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,168,169)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/t46-,47-,48-,49-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,74-,75-,76-,77-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Bcl2 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50196034 (CHEMBL410802 | QEDIIRNIARHLAQVGDSMDR) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:27.27,129.129,35.39,70.70,104.105,143.143,8.12,2.2,118.118,86.85,wD:31.31,75.74,59.59,63.63,43.48,137.137,16.23,109.109,52.52,4.4,159.159,151.151,96.96,(58.76,-35.75,;58.76,-37.29,;57.42,-38.06,;56.09,-37.29,;57.42,-39.6,;58.76,-40.37,;60.09,-39.6,;60.09,-38.06,;61.42,-40.37,;61.42,-41.91,;60.09,-42.68,;60.09,-44.22,;58.76,-41.91,;62.76,-39.6,;64.09,-40.37,;64.09,-41.91,;65.43,-39.6,;65.43,-38.06,;66.76,-37.29,;66.76,-35.75,;68.09,-34.98,;68.09,-33.44,;69.43,-32.67,;66.76,-32.67,;66.76,-40.37,;68.09,-39.6,;68.09,-38.06,;69.43,-40.37,;70.76,-39.6,;72.09,-40.37,;72.09,-41.91,;73.43,-39.6,;74.76,-40.37,;76.09,-39.6,;76.09,-38.06,;77.43,-40.37,;77.43,-41.91,;76.09,-42.68,;74.76,-41.91,;76.09,-44.22,;78.76,-39.6,;80.1,-40.37,;80.1,-41.91,;81.43,-39.6,;81.43,-38.06,;80.1,-37.29,;80.1,-35.75,;78.76,-34.98,;81.43,-34.98,;82.76,-40.37,;84.1,-39.6,;84.1,-38.06,;85.43,-40.37,;85.43,-41.91,;86.76,-39.6,;88.1,-40.37,;89.43,-39.6,;90.77,-40.37,;89.43,-38.06,;73.43,-38.06,;74.76,-37.29,;72.09,-37.29,;72.09,-35.75,;69.43,-41.91,;68.09,-42.68,;70.76,-42.68,;70.76,-44.22,;56.09,-40.37,;56.09,-41.91,;54.76,-39.6,;53.42,-40.37,;53.42,-41.91,;52.09,-39.6,;52.09,-38.06,;50.75,-40.37,;49.42,-39.6,;49.42,-38.06,;48.09,-37.29,;46.75,-38.06,;45.42,-37.29,;45.42,-35.75,;46.75,-34.98,;44.09,-34.98,;48.09,-40.37,;48.99,-41.62,;46.75,-39.6,;45.42,-40.37,;45.42,-41.91,;46.75,-42.68,;46.91,-44.21,;48.42,-44.53,;49.19,-43.2,;48.16,-42.05,;44.09,-39.6,;44.09,-38.06,;42.75,-40.37,;41.42,-39.6,;41.42,-38.06,;40.09,-37.29,;38.75,-38.06,;40.09,-35.75,;40.09,-40.37,;40.09,-41.91,;38.75,-39.6,;37.42,-40.37,;37.42,-41.91,;36.08,-39.6,;36.08,-38.06,;34.75,-40.37,;33.42,-39.6,;33.42,-38.06,;32.08,-37.29,;32.08,-35.75,;30.75,-34.98,;33.42,-34.98,;32.08,-40.37,;32.08,-41.91,;30.75,-39.6,;29.42,-40.37,;29.42,-41.91,;28.08,-42.68,;30.75,-42.68,;28.08,-39.6,;28.08,-38.06,;26.75,-40.37,;25.41,-39.6,;24.08,-40.37,;24.08,-41.91,;22.75,-39.6,;21.41,-40.37,;21.41,-41.91,;20.08,-42.68,;20.08,-44.22,;18.75,-41.91,;20.08,-39.6,;20.08,-38.06,;18.75,-40.37,;17.41,-39.6,;17.41,-38.06,;16.08,-37.29,;16.08,-40.37,;16.08,-41.91,;14.75,-39.6,;13.41,-40.37,;13.41,-41.91,;12.08,-42.68,;12.08,-44.22,;10.74,-44.99,;12.08,-39.6,;12.08,-38.06,;10.74,-40.37,;9.41,-39.6,;9.41,-38.06,;8.08,-37.29,;8.08,-35.75,;6.74,-38.06,;8.08,-40.37,;8.08,-41.91,;6.74,-39.6,;5.41,-40.37,;4.08,-39.6,;2.74,-40.37,;1.41,-39.6,;.08,-40.37,;-1.26,-39.6,;-2.59,-40.37,;-1.26,-38.06,;5.41,-41.91,;4.08,-42.68,;6.74,-42.68,)| Show InChI InChI=1S/C100H169N35O34S/c1-14-46(8)75(133-90(161)61(36-68(104)139)128-82(153)54(21-18-31-113-99(107)108)124-95(166)76(47(9)15-2)135-96(167)77(48(10)16-3)134-91(162)64(39-73(147)148)130-83(154)56(25-28-70(141)142)122-80(151)52(101)23-26-66(102)137)94(165)118-50(12)79(150)120-53(20-17-30-112-98(105)106)81(152)127-60(35-51-40-111-43-116-51)87(158)126-59(34-44(4)5)86(157)117-49(11)78(149)121-55(24-27-67(103)138)85(156)132-74(45(6)7)93(164)115-41-69(140)119-62(37-71(143)144)88(159)131-65(42-136)92(163)123-57(29-33-170-13)84(155)129-63(38-72(145)146)89(160)125-58(97(168)169)22-19-32-114-100(109)110/h40,43-50,52-65,74-77,136H,14-39,41-42,101H2,1-13H3,(H2,102,137)(H2,103,138)(H2,104,139)(H,111,116)(H,115,164)(H,117,157)(H,118,165)(H,119,140)(H,120,150)(H,121,149)(H,122,151)(H,123,163)(H,124,166)(H,125,160)(H,126,158)(H,127,152)(H,128,153)(H,129,155)(H,130,154)(H,131,159)(H,132,156)(H,133,161)(H,134,162)(H,135,167)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,168,169)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/t46-,47-,48-,49-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,74-,75-,76-,77-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl1 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31198 (spiro-oxindole, 4) Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |r| Show InChI InChI=1S/C29H36Cl2N4O3/c1-28(2,3)17-23-29(21-8-7-20(31)16-22(21)33-27(29)37)24(18-5-4-6-19(30)15-18)25(34-23)26(36)32-9-10-35-11-13-38-14-12-35/h4-8,15-16,23-25,34H,9-14,17H2,1-3H3,(H,32,36)(H,33,37)/t23-,24+,25-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	-44.7	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50214871 (1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...) Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O Show InChI InChI=1S/C34H34O10/c1-13(2)11-19-25(35)31(41)29(39)23-27(37)21(15(5)43-33(19)23)17-7-9-18(10-8-17)22-16(6)44-34-20(12-14(3)4)26(36)32(42)30(40)24(34)28(22)38/h7-10,13-14,35-36,39-42H,11-12H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bim peptide from human Bcl2 by fluorescence polarization assay				J Med Chem 50: 3163-6 (2007) Article DOI: 10.1021/jm070383c BindingDB Entry DOI: 10.7270/Q2NZ87BK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50214871 (1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...) Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O Show InChI InChI=1S/C34H34O10/c1-13(2)11-19-25(35)31(41)29(39)23-27(37)21(15(5)43-33(19)23)17-7-9-18(10-8-17)22-16(6)44-34-20(12-14(3)4)26(36)32(42)30(40)24(34)28(22)38/h7-10,13-14,35-36,39-42H,11-12H2,1-6H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bim peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 50: 3163-6 (2007) Article DOI: 10.1021/jm070383c BindingDB Entry DOI: 10.7270/Q2NZ87BK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13152 ((2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbu...) Show SMILES CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H36N4O3/c1-4-21(28)25(32)29-23(18(2)3)27(34)31-17-11-16-22(31)26(33)30-24(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-24H,4,11,16-17,28H2,1-3H3,(H,29,32)(H,30,33)/t21-,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	24	-43.1	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13151 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H34N4O3/c1-17(2)22(28-24(31)18(3)27)26(33)30-16-10-15-21(30)25(32)29-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,21-23H,10,15-16,27H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	28	-42.7	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31197 (CHEMBL211045 | Nutlin-3 | med.21724, Compound 186) Show SMILES COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	36	-42.2	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31199 (spiro-oxindole, 5) Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H28Cl2FN3O2/c1-24(2,3)12-18-25(15-10-9-13(26)11-17(15)29-23(25)33)19(21(30-18)22(32)31(4)5)14-7-6-8-16(27)20(14)28/h6-11,18-19,21,30H,12H2,1-5H3,(H,29,33)/t18-,19+,21-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	38	-42.1	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31204 (spiro-oxindole, 10) Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCCCC1 |r| Show InChI InChI=1S/C30H37Cl2FN4O2/c1-29(2,3)17-23-30(20-11-10-18(31)16-22(20)35-28(30)39)24(19-8-7-9-21(32)25(19)33)26(36-23)27(38)34-12-15-37-13-5-4-6-14-37/h7-11,16,23-24,26,36H,4-6,12-15,17H2,1-3H3,(H,34,38)(H,35,39)/t23-,24+,26-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	39	-42.0	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31201 (spiro-oxindole, 7) Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cc(F)cc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H28Cl2FN3O2/c1-24(2,3)12-19-25(17-7-6-14(26)11-18(17)29-23(25)33)20(21(30-19)22(32)31(4)5)13-8-15(27)10-16(28)9-13/h6-11,19-21,30H,12H2,1-5H3,(H,29,33)/t19-,20+,21-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	44	-41.7	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13155 ((2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbu...) Show SMILES CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H32N4O3/c1-4-16(22)19(26)24-18(14(2)3)21(28)25-12-8-11-17(25)20(27)23-13-15-9-6-5-7-10-15/h5-7,9-10,14,16-18H,4,8,11-13,22H2,1-3H3,(H,23,27)(H,24,26)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	81	-40.1	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31196 (spiro-oxindole, 1) Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	86	-40.1	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50208819 (2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...) Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from human recombinant Bcl2 by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13150 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C21H32N4O3/c1-14(2)18(24-19(26)15(3)22)21(28)25-13-7-10-17(25)20(27)23-12-11-16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13,22H2,1-3H3,(H,23,27)(H,24,26)/t15-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	150	-38.6	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50208819 (2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...) Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from human Mcl1 by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bim peptide from human Bcl2 by fluorescence polarization assay				J Med Chem 50: 3163-6 (2007) Article DOI: 10.1021/jm070383c BindingDB Entry DOI: 10.7270/Q2NZ87BK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31200 (spiro-oxindole, 6) Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1ccc(F)c(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H28Cl2FN3O2/c1-24(2,3)12-19-25(15-8-7-14(26)11-18(15)29-23(25)33)20(21(30-19)22(32)31(4)5)13-6-9-17(28)16(27)10-13/h6-11,19-21,30H,12H2,1-5H3,(H,29,33)/t19-,20+,21-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	170	-38.4	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl1 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13148 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 |r| Show InChI InChI=1S/C18H28N4O3S/c1-11(2)15(21-16(23)12(3)19)18(25)22-8-4-7-14(22)17(24)20-10-13-6-5-9-26-13/h5-6,9,11-12,14-15H,4,7-8,10,19H2,1-3H3,(H,20,24)(H,21,23)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	180	-38.1	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13147 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 |r| Show InChI InChI=1S/C18H28N4O4/c1-11(2)15(21-16(23)12(3)19)18(25)22-8-4-7-14(22)17(24)20-10-13-6-5-9-26-13/h5-6,9,11-12,14-15H,4,7-8,10,19H2,1-3H3,(H,20,24)(H,21,23)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	220	-37.6	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O Show InChI InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Mcl1 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bim peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 50: 3163-6 (2007) Article DOI: 10.1021/jm070383c BindingDB Entry DOI: 10.7270/Q2NZ87BK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O Show InChI InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Bcl2 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13142 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H30N4O3/c1-13(2)17(23-18(25)14(3)21)20(27)24-11-7-10-16(24)19(26)22-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,16-17H,7,10-12,21H2,1-3H3,(H,22,26)(H,23,25)/t14-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	290	-36.9	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13142 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H30N4O3/c1-13(2)17(23-18(25)14(3)21)20(27)24-11-7-10-16(24)19(26)22-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,16-17H,7,10-12,21H2,1-3H3,(H,22,26)(H,23,25)/t14-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	290	-36.9	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				J Med Chem 47: 4147-50 (2004) Article DOI: 10.1021/jm0499108 BindingDB Entry DOI: 10.7270/Q2028PSX
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Bcl2 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50214872 (5,6,7-trihydroxy-8-isobutyl-2-methyl-3-phenyl-chro...) Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccccc1)c2=O Show InChI InChI=1S/C20H20O5/c1-10(2)9-13-16(21)19(24)18(23)15-17(22)14(11(3)25-20(13)15)12-7-5-4-6-8-12/h4-8,10,21,23-24H,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bim peptide from human Bcl2 by fluorescence polarization assay				J Med Chem 50: 3163-6 (2007) Article DOI: 10.1021/jm070383c BindingDB Entry DOI: 10.7270/Q2NZ87BK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13210 ((3S,6S,8aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H32N4O3/c1-2-20(27)24(31)28-21-15-13-19-14-16-22(30(19)26(21)33)25(32)29-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-23H,2,13-16,27H2,1H3,(H,28,31)(H,29,32)/t19-,20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	350	-36.5	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				J Med Chem 47: 4147-50 (2004) Article DOI: 10.1021/jm0499108 BindingDB Entry DOI: 10.7270/Q2028PSX
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50214872 (5,6,7-trihydroxy-8-isobutyl-2-methyl-3-phenyl-chro...) Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccccc1)c2=O Show InChI InChI=1S/C20H20O5/c1-10(2)9-13-16(21)19(24)18(23)15-17(22)14(11(3)25-20(13)15)12-7-5-4-6-8-12/h4-8,10,21,23-24H,9H2,1-3H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bim peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 50: 3163-6 (2007) Article DOI: 10.1021/jm070383c BindingDB Entry DOI: 10.7270/Q2NZ87BK
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM23223 (7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...) Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bak from human Bcl-xL by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13200 ((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(N)=O |r| Show InChI InChI=1S/C19H35N5O4/c1-6-11(4)15(16(21)25)23-18(27)13-8-7-9-24(13)19(28)14(10(2)3)22-17(26)12(5)20/h10-15H,6-9,20H2,1-5H3,(H2,21,25)(H,22,26)(H,23,27)/t11-,12-,13-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	580	-35.2	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				J Med Chem 47: 4147-50 (2004) Article DOI: 10.1021/jm0499108 BindingDB Entry DOI: 10.7270/Q2028PSX
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50208821 (2-(2,3,4-trihydroxy-5-isopropylbenzoyl)-1,2,3,4-te...) Show SMILES CC(C)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C27H30N2O6S/c1-17(2)22-15-23(25(31)26(32)24(22)30)27(33)29-13-11-19-8-9-21(14-20(19)16-29)36(34,35)28-12-10-18-6-4-3-5-7-18/h3-9,14-15,17,28,30-32H,10-13,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from human recombinant Bcl2 by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50208819 (2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...) Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	638	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bak BH3 peptide from human Bcl-xL by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50214870 (5,6,7-trihydroxy-8-isobutyl-2-methyl-4H-chromen-4-...) Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)cc2=O Show InChI InChI=1S/C14H16O5/c1-6(2)4-8-11(16)13(18)12(17)10-9(15)5-7(3)19-14(8)10/h5-6,16-18H,4H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bim peptide from human Bcl2 by fluorescence polarization assay				J Med Chem 50: 3163-6 (2007) Article DOI: 10.1021/jm070383c BindingDB Entry DOI: 10.7270/Q2NZ87BK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50196036 (CHEMBL217223 | N-(benzenesulfonyl-phenyl)-2,3,4-tr...) Show SMILES Oc1c(O)c(Cc2ccccc2)cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)c1O Show InChI InChI=1S/C26H21NO6S/c28-23-18(15-17-7-3-1-4-8-17)16-22(24(29)25(23)30)26(31)27-19-11-13-21(14-12-19)34(32,33)20-9-5-2-6-10-20/h1-14,16,28-30H,15H2,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid from human Bcl2 by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50196032 ((N-[(2-tert-butylbenzenesulfonyl)phenyl]-2,3,4-tri...) Show SMILES CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O Show InChI InChI=1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bak from human Bcl-xL by FP assay				J Med Chem 49: 6139-42 (2006) Article DOI: 10.1021/jm060460o BindingDB Entry DOI: 10.7270/Q24M946T
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13153 ((2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2R)-2-(3-p...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1CCCc1ccccc1 |r| Show InChI InChI=1S/C21H33N3O2/c1-15(2)19(23-20(25)16(3)22)21(26)24-14-8-13-18(24)12-7-11-17-9-5-4-6-10-17/h4-6,9-10,15-16,18-19H,7-8,11-14,22H2,1-3H3,(H,23,25)/t16-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	-33.5	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50214871 (1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...) Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O Show InChI InChI=1S/C34H34O10/c1-13(2)11-19-25(35)31(41)29(39)23-27(37)21(15(5)43-33(19)23)17-7-9-18(10-8-17)22-16(6)44-34-20(12-14(3)4)26(36)32(42)30(40)24(34)28(22)38/h7-10,13-14,35-36,39-42H,11-12H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bim peptide from human Bcl-XL by fluorescence polarization assay				J Med Chem 50: 3163-6 (2007) Article DOI: 10.1021/jm070383c BindingDB Entry DOI: 10.7270/Q2NZ87BK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13146 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1 |r| Show InChI InChI=1S/C20H36N4O3/c1-13(2)17(23-18(25)14(3)21)20(27)24-11-7-10-16(24)19(26)22-12-15-8-5-4-6-9-15/h13-17H,4-12,21H2,1-3H3,(H,22,26)(H,23,25)/t14-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.27E+3	-33.3	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13204 ((3S,6S,8aS)-6-[(2S)-2-aminobutanamido]-N-benzyl-5-...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C20H28N4O3/c1-2-15(21)18(25)23-16-10-8-14-9-11-17(24(14)20(16)27)19(26)22-12-13-6-4-3-5-7-13/h3-7,14-17H,2,8-12,21H2,1H3,(H,22,26)(H,23,25)/t14-,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.41E+3	-33.1	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				J Med Chem 47: 4147-50 (2004) Article DOI: 10.1021/jm0499108 BindingDB Entry DOI: 10.7270/Q2028PSX
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50214870 (5,6,7-trihydroxy-8-isobutyl-2-methyl-4H-chromen-4-...) Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)cc2=O Show InChI InChI=1S/C14H16O5/c1-6(2)4-8-11(16)13(18)12(17)10-9(15)5-7(3)19-14(8)10/h5-6,16-18H,4H2,1-3H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bim peptide from human Mcl1 by fluorescence polarization assay				J Med Chem 50: 3163-6 (2007) Article DOI: 10.1021/jm070383c BindingDB Entry DOI: 10.7270/Q2NZ87BK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13209 ((3S,6S,8aS)-6-[(2S)-2-aminopropanamido]-N-(dipheny...) Show SMILES C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H30N4O3/c1-16(26)23(30)27-20-14-12-19-13-15-21(29(19)25(20)32)24(31)28-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-22H,12-15,26H2,1H3,(H,27,30)(H,28,31)/t16-,19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.33E+3	-31.8	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				J Med Chem 47: 4147-50 (2004) Article DOI: 10.1021/jm0499108 BindingDB Entry DOI: 10.7270/Q2028PSX
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50208820 ((3,4-dihydro-1H-isoquinolin-2-yl)-(2,3,4-trihydrox...) Show SMILES CC(C)c1cc(C(=O)N2CCc3ccccc3C2)c(O)c(O)c1O Show InChI InChI=1S/C19H21NO4/c1-11(2)14-9-15(17(22)18(23)16(14)21)19(24)20-8-7-12-5-3-4-6-13(12)10-20/h3-6,9,11,21-23H,7-8,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of FAM-Bid BH3 peptide from human recombinant Bcl2 by FP-based binding assay				J Med Chem 50: 1723-6 (2007) Article DOI: 10.1021/jm061400l BindingDB Entry DOI: 10.7270/Q2NV9HXV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31203 (spiro-oxindole, 9) Show SMILES CC(C)(C)C[C@@H]1N[C@@H]([C@@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |r| Show InChI InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23+,25-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13156 ((2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3...) Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C22H34N4O3/c1-14(2)18(23)21(28)25-19(15(3)4)22(29)26-12-8-11-17(26)20(27)24-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13,23H2,1-4H3,(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.15E+3	-30.4	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13145 ((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CC1 |r| Show InChI InChI=1S/C17H30N4O3/c1-10(2)14(20-15(22)11(3)18)17(24)21-8-4-5-13(21)16(23)19-9-12-6-7-12/h10-14H,4-9,18H2,1-3H3,(H,19,23)(H,20,22)/t11-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.41E+3	-30.3	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13202 ((3S,6S,8aS)-6-[(2S)-2-aminopropanamido]-N-benzyl-5...) Show SMILES C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H26N4O3/c1-12(20)17(24)22-15-9-7-14-8-10-16(23(14)19(15)26)18(25)21-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11,20H2,1H3,(H,21,25)(H,22,24)/t12-,14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	4.47E+3	-30.2	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				J Med Chem 47: 4147-50 (2004) Article DOI: 10.1021/jm0499108 BindingDB Entry DOI: 10.7270/Q2028PSX
					More data for this Ligand-Target Pair

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