Compile Data Set for Download or QSAR

Found 5 hits of kd data for polymerid = 3987   

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
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM109236 (WEHI-539) Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1 |w:26.27| Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.10	1.40	n/a	n/a	n/a	7.4	n/a
Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia					Assay Description The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...				Nat Chem Biol 9: 390-7 (2013) Article DOI: 10.1038/nchembio.1246 BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM218795 (130E7 | Ac-λIAQELRRIGDEFNAYYARR-NH2) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C110H171ClN36O32/c1-11-54(5)86(146-97(170)68(25-19-43-126-110(121)122)137-93(166)67(24-18-42-125-109(119)120)138-100(173)72(44-53(3)4)142-95(168)70(35-38-83(155)156)139-94(167)69(34-37-79(112)151)136-90(163)58(9)131-106(179)87(55(6)12-2)147-104(177)78(132-59(10)148)51-127-81(153)50-111)105(178)128-52-82(154)133-77(49-85(159)160)103(176)140-71(36-39-84(157)158)96(169)143-75(45-60-20-14-13-15-21-60)102(175)145-76(48-80(113)152)99(172)130-57(8)91(164)141-74(47-62-28-32-64(150)33-29-62)101(174)144-73(46-61-26-30-63(149)31-27-61)98(171)129-56(7)89(162)135-66(23-17-41-124-108(117)118)92(165)134-65(88(114)161)22-16-40-123-107(115)116/h13-15,20-21,26-33,53-58,65-78,86-87,149-150H,11-12,16-19,22-25,34-52H2,1-10H3,(H2,112,151)(H2,113,152)(H2,114,161)(H,127,153)(H,128,178)(H,129,171)(H,130,172)(H,131,179)(H,132,148)(H,133,154)(H,134,165)(H,135,162)(H,136,163)(H,137,166)(H,138,173)(H,139,167)(H,140,176)(H,141,164)(H,142,168)(H,143,169)(H,144,174)(H,145,175)(H,146,170)(H,147,177)(H,155,156)(H,157,158)(H,159,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t54-,55-,56-,57-,58-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,86-,87-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	25.5	n/a	n/a	n/a	7.4	298.15
University of California, Riverside					Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...				ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM109231 (N-(3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethy...) Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)S(=O)(=O)NC(=O)CCCCCc1ccccc1 |w:2.1| Show InChI InChI=1S/C31H30N4O4S2/c1-22(33-34-31-32-26-16-8-9-17-29(26)40-31)27-19-20-28(39-27)24-14-10-15-25(21-24)41(37,38)35-30(36)18-7-3-6-13-23-11-4-2-5-12-23/h2,4-5,8-12,14-17,19-22H,3,6-7,13,18H2,1H3,(H,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	2.2	25
Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia					Assay Description A concentration series of each compound was injected at a flow rate of 90 µL/min over three spots at 25°C. The times allowed for compound a...				Nat Chem Biol 9: 390-7 (2013) Article DOI: 10.1038/nchembio.1246 BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM50436643 (3-(5-(1-(2-(Benzo[d]thiazol-2-yl)hydrazono)ethyl)f...) Show SMILES CC(N=Nc1nc2ccccc2s1)c1ccc(o1)-c1cccc(c1)C(O)=O |w:3.3| Show InChI InChI=1S/C20H15N3O3S/c1-12(22-23-20-21-15-7-2-3-8-18(15)27-20)16-9-10-17(26-16)13-5-4-6-14(11-13)19(24)25/h2-12H,1H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	850	n/a	n/a	n/a	2.2	25
Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia					Assay Description A concentration series of each compound was injected at a flow rate of 90 µL/min over three spots at 25°C. The times allowed for compound a...				Nat Chem Biol 9: 390-7 (2013) Article DOI: 10.1038/nchembio.1246 BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human))	BDBM85273 (BI-21C5) Show SMILES Oc1ccccc1-c1cc(-c2ccc3OCOc3c2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C19H12N2O4/c20-9-14-13(11-5-6-17-18(7-11)25-10-24-17)8-15(21-19(14)23)12-3-1-2-4-16(12)22/h1-8,22H,10H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	1.98E+4	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description In order to figure whether these compounds were capable of displacing the interactions between Bci-XL and it's pro-apoptotic counterparts, it was...				Bioorg Chem 35: 344-53 (2007) Article DOI: 10.1016/j.bioorg.2007.03.001 BindingDB Entry DOI: 10.7270/Q2HT2MWD
					More data for this Ligand-Target Pair