Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 50007021   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Telomeric repeat-binding factor 2-interacting protein 1 (Homo sapiens (Human))	BDBM50136331 (CHEMBL3752722) Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)CCNC(=O)CCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(N)=O)nn2 Show InChI InChI=1S/C110H154N24O28S2/c1-58(2)47-79(104(154)128-84(57-135)94(113)144)124-106(156)83-52-67-56-134(133-132-67)44-22-19-29-74(98(148)117-60(5)95(145)123-82(50-65-25-15-12-16-26-65)105(155)121-76(100(150)125-83)28-18-21-41-112)119-99(149)75(27-17-20-40-111)120-103(153)80(48-59(3)4)126-107(157)92(62(7)137)130-102(152)78(39-46-164-10)122-101(151)77(38-45-163-9)118-89(143)55-116-97(147)81(49-64-23-13-11-14-24-64)127-108(158)93(63(8)138)131-109(159)91(61(6)136)129-88(142)37-42-114-87(141)36-43-115-96(146)66-30-33-70(110(160)161)73(51-66)90-71-34-31-68(139)53-85(71)162-86-54-69(140)32-35-72(86)90/h11-16,23-26,30-35,51,53-54,56,58-63,74-84,91-93,135-139H,17-22,27-29,36-50,52,55,57,111-112H2,1-10H3,(H2,113,144)(H,114,141)(H,115,146)(H,116,147)(H,117,148)(H,118,143)(H,119,149)(H,120,153)(H,121,155)(H,122,151)(H,123,145)(H,124,156)(H,125,150)(H,126,157)(H,127,158)(H,128,154)(H,129,142)(H,130,152)(H,131,159)(H,160,161)/t60-,61?,62+,63+,74-,75-,76?,77-,78-,79-,80-,81-,82-,83+,84?,91?,92?,93-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay				J Med Chem 59: 328-34 (2016) Article DOI: 10.1021/acs.jmedchem.5b01465 BindingDB Entry DOI: 10.7270/Q2MP553D
					More data for this Ligand-Target Pair
Telomeric repeat-binding factor 2-interacting protein 1 (Homo sapiens (Human))	BDBM50136337 (CHEMBL3752164) Show SMILES CSCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC1CCCCn2cc(CC(NC(=O)C(CCCCN)NC(=O)C(Cc3ccccc3)NC(=O)C(C)NC1=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCCC(=O)NCCC(=O)NC(CCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c3ccc(O)cc3oc3cc(=O)ccc13)C(N)=O)nn2 Show InChI InChI=1S/C118H168N26O30S2/c1-63(2)52-86(112(166)139-91(62-145)105(159)124-48-40-94(152)122-47-41-95(153)128-80(101(121)155)30-20-24-46-123-103(157)72-34-37-76(118(172)173)79(56-72)97-77-38-35-74(150)58-92(77)174-93-59-75(151)36-39-78(93)97)135-114(168)90-57-73-61-144(143-142-73)49-25-21-33-81(106(160)126-65(5)102(156)134-89(55-71-28-16-13-17-29-71)113(167)132-83(108(162)136-90)32-19-23-45-120)130-107(161)82(31-18-22-44-119)131-111(165)87(53-64(3)4)137-115(169)99(67(7)147)140-110(164)85(43-51-176-11)133-109(163)84(42-50-175-10)129-96(154)60-125-104(158)88(54-70-26-14-12-15-27-70)138-116(170)100(68(8)148)141-117(171)98(66(6)146)127-69(9)149/h12-17,26-29,34-39,56,58-59,61,63-68,80-91,98-100,145-148,150H,18-25,30-33,40-55,57,60,62,119-120H2,1-11H3,(H2,121,155)(H,122,152)(H,123,157)(H,124,159)(H,125,158)(H,126,160)(H,127,149)(H,128,153)(H,129,154)(H,130,161)(H,131,165)(H,132,167)(H,133,163)(H,134,156)(H,135,168)(H,136,162)(H,137,169)(H,138,170)(H,139,166)(H,140,164)(H,141,171)(H,172,173)/t65-,66+,67+,68+,80?,81?,82-,83-,84-,85-,86-,87-,88-,89-,90+,91?,98-,99-,100-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay				J Med Chem 59: 328-34 (2016) Article DOI: 10.1021/acs.jmedchem.5b01465 BindingDB Entry DOI: 10.7270/Q2MP553D
					More data for this Ligand-Target Pair
Telomeric repeat-binding factor 2-interacting protein 1 (Homo sapiens (Human))	BDBM50136326 (CHEMBL3752569) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCNC(=O)CCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.12,51.56,4.4,2.2,64.68,80.83,81.86,95.99,109.113,114.118,134.138,141.146,wD:8.8,54.59,87.91,72.76,104.108,125.130,135.141,149.154,(-17.05,24.05,;-15.98,24.66,;-14.65,23.89,;-14.66,22.66,;-13.32,24.65,;-11.98,23.88,;-11.98,22.34,;-13.05,21.73,;-10.65,21.57,;-10.65,20.03,;-9.32,19.26,;-8.25,19.87,;-9.32,17.72,;-7.99,16.95,;-7.99,15.41,;-9.06,14.79,;-6.66,14.63,;-6.66,13.09,;-5.33,12.32,;-5.33,10.78,;-6.39,10.17,;-3.99,10.01,;-3.99,8.47,;-2.66,7.7,;-2.66,6.16,;-3.73,5.54,;-1.33,5.39,;0,6.16,;1.34,5.39,;1.34,3.85,;2.67,3.08,;2.68,2.06,;3.74,3.7,;0,3.08,;-1.33,3.85,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-10.66,16.95,;-10.66,15.72,;-11.72,17.57,;-9.32,22.34,;-8.25,21.73,;-9.32,23.57,;-13.31,26.19,;-12.25,26.81,;-14.65,26.97,;-14.65,28.51,;-15.98,29.28,;-17.05,28.66,;-15.98,30.82,;-17.31,31.59,;-18.65,30.82,;-19.98,31.6,;-21.31,30.83,;-22.38,31.45,;-17.31,33.13,;-16.24,33.74,;-18.64,33.9,;-18.64,35.44,;-17.31,36.21,;-17.31,37.75,;-15.98,38.52,;-15.98,39.76,;-19.97,36.21,;-21.04,35.6,;-19.97,37.75,;-21.31,38.52,;-22.64,37.76,;-22.65,36.53,;-23.71,38.38,;-21.3,40.06,;-20.24,40.68,;-22.64,40.84,;-22.64,42.38,;-21.3,43.15,;-21.3,44.69,;-20.24,45.31,;-22.37,45.3,;-23.97,43.15,;-25.04,42.53,;-23.97,44.69,;-25.3,45.46,;-26.64,44.69,;-27.97,45.47,;-29.3,44.7,;-30.64,45.48,;-31.7,44.86,;-25.3,47,;-24.23,47.62,;-26.63,47.77,;-26.63,49.31,;-25.56,49.93,;-27.96,50.08,;-29.03,49.47,;-27.96,51.62,;-29.3,52.4,;-30.36,51.78,;-29.29,53.94,;-28.23,54.55,;-30.63,54.71,;-30.63,56.25,;-31.96,57.02,;-31.96,58.56,;-33.29,59.33,;-33.28,60.87,;-31.95,61.64,;-30.62,60.87,;-30.62,59.33,;-29.29,57.02,;-28.23,56.4,;-29.29,58.56,;-27.96,59.33,;-26.63,58.56,;-26.63,57.02,;-25.3,56.25,;-25.3,54.71,;-24.23,54.09,;-27.96,60.87,;-26.89,61.49,;-29.29,61.64,;-29.29,63.18,;-27.96,63.95,;-26.89,63.34,;-27.96,65.19,;-30.62,63.95,;-31.69,63.34,;-30.62,65.49,;-31.96,66.27,;-33.29,65.5,;-34.62,66.27,;-35.69,65.66,;-34.62,67.5,;-31.96,67.81,;-30.89,68.42,;-33.29,68.58,;-33.29,70.12,;-31.95,70.89,;-31.95,72.12,;-34.62,70.89,;-35.69,70.28,;-34.62,72.12,)| Show InChI InChI=1S/C103H153N21O29S2/c1-15-53(6)82(121-102(150)86(59(12)129)124-101(149)83(56(9)126)120-79(133)34-39-107-78(132)33-40-108-90(138)61-27-30-64(103(151)152)67(46-61)81-65-31-28-62(130)47-76(65)153-77-48-63(131)29-32-66(77)81)98(146)109-49-80(134)112-70(35-41-154-13)92(140)115-71(36-42-155-14)94(142)123-85(58(11)128)100(148)117-72(43-51(2)3)95(143)113-68(25-19-21-37-104)91(139)111-54(7)88(136)110-55(8)89(137)116-74(45-60-23-17-16-18-24-60)97(145)114-69(26-20-22-38-105)93(141)122-84(57(10)127)99(147)118-73(44-52(4)5)96(144)119-75(50-125)87(106)135/h16-18,23-24,27-32,46-48,51-59,68-75,82-86,125-130H,15,19-22,25-26,33-45,49-50,104-105H2,1-14H3,(H2,106,135)(H,107,132)(H,108,138)(H,109,146)(H,110,136)(H,111,139)(H,112,134)(H,113,143)(H,114,145)(H,115,140)(H,116,137)(H,117,148)(H,118,147)(H,119,144)(H,120,133)(H,121,150)(H,122,141)(H,123,142)(H,124,149)(H,151,152)/t53-,54-,55-,56+,57+,58+,59+,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-,84+,85-,86-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay				J Med Chem 59: 328-34 (2016) Article DOI: 10.1021/acs.jmedchem.5b01465 BindingDB Entry DOI: 10.7270/Q2MP553D
					More data for this Ligand-Target Pair
Telomeric repeat-binding factor 2-interacting protein 1 (Homo sapiens (Human))	BDBM50136330 (CHEMBL3753350) Show SMILES CCC(C)C(NC(=O)C(NC(=O)C(NC(C)=O)C(C)O)C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCCC(=O)NCCC(=O)NC(CCCCNC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O Show InChI InChI=1S/C111H167N23O31S2/c1-16-58(6)89(131-110(162)93(64(12)139)134-109(161)90(61(9)136)121-65(13)140)106(158)118-54-87(145)123-77(39-46-166-14)100(152)126-78(40-47-167-15)102(154)133-92(63(11)138)108(160)128-79(48-56(2)3)103(155)124-75(29-20-23-41-112)99(151)120-59(7)95(147)119-60(8)96(148)127-81(50-66-26-18-17-19-27-66)105(157)125-76(30-21-24-42-113)101(153)132-91(62(10)137)107(159)129-80(49-57(4)5)104(156)130-82(55-135)98(150)117-45-37-85(143)115-44-38-86(144)122-74(94(114)146)28-22-25-43-116-97(149)67-31-34-70(111(163)164)73(51-67)88-71-35-32-68(141)52-83(71)165-84-53-69(142)33-36-72(84)88/h17-19,26-27,31-36,51-53,56-64,74-82,89-93,135-139,141H,16,20-25,28-30,37-50,54-55,112-113H2,1-15H3,(H2,114,146)(H,115,143)(H,116,149)(H,117,150)(H,118,158)(H,119,147)(H,120,151)(H,121,140)(H,122,144)(H,123,145)(H,124,155)(H,125,157)(H,126,152)(H,127,148)(H,128,160)(H,129,159)(H,130,156)(H,131,162)(H,132,153)(H,133,154)(H,134,161)(H,163,164)/t58-,59-,60-,61+,62+,63+,64+,74?,75-,76-,77-,78-,79-,80-,81?,82-,89-,90-,91+,92-,93-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay				J Med Chem 59: 328-34 (2016) Article DOI: 10.1021/acs.jmedchem.5b01465 BindingDB Entry DOI: 10.7270/Q2MP553D
					More data for this Ligand-Target Pair