Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50357759'   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50357759 (CHEMBL1916197) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(O)=O |r,wU:110.113,99.109,92.93,79.81,61.61,47.52,8.15,2.2,139.141,159.162,wD:83.90,116.119,65.77,120.123,56.56,38.43,30.34,19.26,4.4,131.133,148.150,167.171,(21.53,-21.17,;20.2,-20.4,;20.2,-18.85,;21.53,-18.08,;18.86,-18.09,;17.52,-18.86,;17.53,-20.4,;18.86,-21.16,;16.19,-21.17,;14.86,-20.4,;14.86,-18.85,;13.53,-18.09,;13.53,-16.55,;12.2,-15.78,;10.87,-16.55,;12.2,-14.24,;16.19,-22.7,;14.86,-23.47,;13.52,-22.71,;14.85,-25.01,;16.19,-25.78,;17.53,-25.01,;18.86,-25.78,;20.19,-25.01,;21.53,-25.78,;21.53,-27.32,;22.86,-25.01,;13.52,-25.78,;13.53,-27.32,;14.86,-28.09,;12.19,-28.09,;12.19,-29.63,;10.86,-30.4,;9.52,-29.63,;10.86,-31.93,;10.86,-27.32,;10.86,-25.78,;12.19,-25.01,;9.53,-25.01,;8.19,-25.78,;6.85,-25.01,;5.53,-25.78,;5.53,-27.31,;4.19,-25.01,;9.53,-23.46,;8.2,-22.7,;6.86,-23.47,;8.2,-21.15,;9.53,-20.39,;10.87,-21.16,;12.2,-20.39,;12.19,-18.86,;13.53,-21.16,;6.87,-20.39,;6.86,-18.85,;8.2,-18.08,;5.53,-18.08,;4.2,-18.85,;5.53,-16.54,;4.2,-15.77,;2.87,-16.55,;4.2,-14.23,;2.87,-13.46,;2.87,-11.92,;4.2,-11.15,;1.54,-11.15,;.2,-11.92,;.21,-13.46,;1.1,-14.7,;.19,-15.94,;-1.27,-15.46,;-2.6,-16.23,;-3.93,-15.45,;-3.93,-13.91,;-2.59,-13.16,;-1.26,-13.93,;1.54,-9.61,;.21,-8.85,;-1.13,-9.61,;.2,-7.3,;-1.13,-6.53,;-1.13,-4.99,;.2,-4.22,;-2.46,-4.22,;-3.79,-4.99,;-3.79,-6.53,;-5.13,-7.3,;-6.46,-6.54,;-5.13,-8.84,;-2.46,-2.68,;-3.79,-1.91,;-5.12,-2.68,;-3.8,-.37,;-2.41,.33,;-2.94,1.92,;-4.61,1.91,;-5.13,.31,;-6.42,-.53,;-6.34,-2.07,;-7.75,.25,;-7.73,1.8,;-6.39,2.55,;-6.37,4.09,;-7.7,4.87,;-9.04,4.11,;-10.37,4.9,;-9.05,2.57,;-9.08,-.5,;-10.41,.28,;-10.4,1.82,;-11.76,-.48,;-11.78,-2.02,;-13.09,.3,;-14.43,-.45,;-14.44,-1.99,;-15.76,-2.75,;1.54,-6.53,;2.87,-7.3,;1.54,-4.99,;2.87,-4.22,;5.53,-13.46,;6.87,-14.23,;5.53,-11.92,;6.86,-11.15,;18.86,-16.55,;17.53,-15.78,;20.2,-15.78,;20.19,-14.24,;21.53,-13.47,;22.87,-14.24,;21.53,-11.93,;22.86,-11.16,;24.2,-11.93,;25.53,-11.16,;25.53,-9.63,;26.87,-11.93,;22.86,-9.62,;21.53,-8.85,;24.2,-8.85,;24.2,-7.31,;22.87,-6.54,;22.87,-5,;21.53,-4.24,;20.2,-5.01,;21.53,-2.7,;25.53,-6.54,;26.87,-7.31,;25.53,-5,;26.86,-4.23,;28.2,-5,;29.54,-4.23,;29.54,-2.7,;30.88,-1.93,;32.21,-2.7,;32.2,-4.24,;30.87,-5.01,;26.87,-2.7,;25.53,-1.93,;28.2,-1.93,;28.2,-.39,;26.87,.38,;26.87,1.92,;28.21,2.69,;25.54,2.69,;29.54,.38,;30.89,-.38,;29.54,1.92,;30.88,2.7,;32.22,1.92,;30.87,4.23,;32.21,5.01,;29.55,5,)| Show InChI InChI=1S/C108H170N32O31S/c1-12-54(6)84(101(166)122-52-79(143)125-75(50-83(150)151)98(163)130-68(34-38-81(146)147)92(157)134-72(47-59-24-16-15-17-25-59)97(162)135-74(49-78(111)142)95(160)124-58(10)105(170)171)137-93(158)65(29-21-42-119-107(114)115)127-89(154)64(28-20-41-118-106(112)113)128-96(161)71(46-53(4)5)133-91(156)67(33-37-80(144)145)129-90(155)66(32-36-77(110)141)126-87(152)57(9)123-102(167)85(55(7)13-2)139-99(164)73(48-60-51-121-63-27-19-18-26-61(60)63)136-103(168)86(56(8)14-3)138-94(159)69(35-39-82(148)149)131-100(165)76-31-23-44-140(76)104(169)70(30-22-43-120-108(116)117)132-88(153)62(109)40-45-172-11/h15-19,24-27,51,53-58,62,64-76,84-86,121H,12-14,20-23,28-50,52,109H2,1-11H3,(H2,110,141)(H2,111,142)(H,122,166)(H,123,167)(H,124,160)(H,125,143)(H,126,152)(H,127,154)(H,128,161)(H,129,155)(H,130,163)(H,131,165)(H,132,153)(H,133,156)(H,134,157)(H,135,162)(H,136,168)(H,137,158)(H,138,159)(H,139,164)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,170,171)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t54-,55-,56-,57-,58-,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,84-,85-,86-/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	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 40 uM ...				Bioorg Med Chem Lett 21: 4951-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.134 BindingDB Entry DOI: 10.7270/Q2DB8287
					More data for this Ligand-Target Pair