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PubMed code 26183544

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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PubMed
n/an/a 0.900n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104834
PNG
(CHEMBL3597499)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C48H89N17O10S2/c1-10-26(6)36-45(75)61-31(20-25(4)5)41(71)64-33(22-76-77-23-34(44(74)65-36)63-38(68)27(49)13-11-17-56-46(52)53)43(73)59-29(14-12-18-57-47(54)55)39(69)62-32(21-48(7,8)9)42(72)60-30(19-24(2)3)40(70)58-28(37(51)67)15-16-35(50)66/h24-34,36H,10-23,49H2,1-9H3,(H2,50,66)(H2,51,67)(H,58,70)(H,59,73)(H,60,72)(H,61,75)(H,62,69)(H,63,68)(H,64,71)(H,65,74)(H4,52,53,56)(H4,54,55,57)/t26-,27-,28-,29-,30-,31-,32?,33-,34+,36-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104835
PNG
(CHEMBL3597498)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCCN
Show InChI InChI=1S/C47H87N15O10S2/c1-9-27(8)37-46(72)59-33(21-26(6)7)43(69)61-34(22-73-74-23-35(45(71)62-37)60-39(65)28(49)13-10-11-17-48)44(70)56-30(14-12-18-54-47(52)53)40(66)57-32(20-25(4)5)42(68)58-31(19-24(2)3)41(67)55-29(38(51)64)15-16-36(50)63/h24-35,37H,9-23,48-49H2,1-8H3,(H2,50,63)(H2,51,64)(H,55,67)(H,56,70)(H,57,66)(H,58,68)(H,59,72)(H,60,65)(H,61,69)(H,62,71)(H4,52,53,54)/t27-,28-,29-,30-,31-,32-,33-,34-,35+,37-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104800
PNG
(CHEMBL3597509)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C96H182N48O20S2/c1-10-50(6)70-86(164)140-62(41-49(4)5)82(160)143-64(46-165-166-47-65(85(163)144-70)142-72(150)51(97)20-11-31-118-87(100)101)84(162)137-59(28-19-39-126-95(116)117)80(158)141-63(42-96(7,8)9)83(161)139-61(40-48(2)3)81(159)138-60(29-30-66(98)145)73(151)129-44-68(147)127-43-67(146)128-45-69(148)130-53(22-13-33-120-89(104)105)74(152)132-55(24-15-35-122-91(108)109)76(154)134-57(26-17-37-124-93(112)113)78(156)136-58(27-18-38-125-94(114)115)79(157)135-56(25-16-36-123-92(110)111)77(155)133-54(23-14-34-121-90(106)107)75(153)131-52(71(99)149)21-12-32-119-88(102)103/h48-65,70H,10-47,97H2,1-9H3,(H2,98,145)(H2,99,149)(H,127,147)(H,128,146)(H,129,151)(H,130,148)(H,131,153)(H,132,152)(H,133,155)(H,134,154)(H,135,157)(H,136,156)(H,137,162)(H,138,159)(H,139,161)(H,140,164)(H,141,158)(H,142,150)(H,143,160)(H,144,163)(H4,100,101,118)(H4,102,103,119)(H4,104,105,120)(H4,106,107,121)(H4,108,109,122)(H4,110,111,123)(H4,112,113,124)(H4,114,115,125)(H4,116,117,126)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,70-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104804
PNG
(CHEMBL3597505)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](C\C=C/C[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C50H91N17O10/c1-10-28(6)38-47(77)65-35(24-27(4)5)45(75)63-31(16-11-12-17-32(43(73)67-38)61-40(70)29(51)15-13-21-58-48(54)55)41(71)62-33(18-14-22-59-49(56)57)42(72)66-36(25-50(7,8)9)46(76)64-34(23-26(2)3)44(74)60-30(39(53)69)19-20-37(52)68/h11-12,26-36,38H,10,13-25,51H2,1-9H3,(H2,52,68)(H2,53,69)(H,60,74)(H,61,70)(H,62,71)(H,63,75)(H,64,76)(H,65,77)(H,66,72)(H,67,73)(H4,54,55,58)(H4,56,57,59)/b12-11-/t28-,29-,30-,31-,32+,33-,34-,35-,36?,38-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104805
PNG
(CHEMBL3597504)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](C\C=C\C[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C50H91N17O10/c1-10-28(6)38-47(77)65-35(24-27(4)5)45(75)63-31(16-11-12-17-32(43(73)67-38)61-40(70)29(51)15-13-21-58-48(54)55)41(71)62-33(18-14-22-59-49(56)57)42(72)66-36(25-50(7,8)9)46(76)64-34(23-26(2)3)44(74)60-30(39(53)69)19-20-37(52)68/h11-12,26-36,38H,10,13-25,51H2,1-9H3,(H2,52,68)(H2,53,69)(H,60,74)(H,61,70)(H,62,71)(H,63,75)(H,64,76)(H,65,77)(H,66,72)(H,67,73)(H4,54,55,58)(H4,56,57,59)/b12-11+/t28-,29-,30-,31-,32+,33-,34-,35-,36?,38-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104808
PNG
(CHEMBL3597501)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C52H95N19O10/c1-11-29(7)40(71-47(79)37(23-30-25-60-26-63-30)67-42(74)31(53)15-13-19-61-50(56)57)49(81)69-36(22-28(5)6)45(77)64-32(12-2)43(75)66-34(16-14-20-62-51(58)59)44(76)70-38(24-52(8,9)10)48(80)68-35(21-27(3)4)46(78)65-33(41(55)73)17-18-39(54)72/h25-29,31-38,40H,11-24,53H2,1-10H3,(H2,54,72)(H2,55,73)(H,60,63)(H,64,77)(H,65,78)(H,66,75)(H,67,74)(H,68,80)(H,69,81)(H,70,76)(H,71,79)(H4,56,57,61)(H4,58,59,62)/t29-,31-,32?,33-,34-,35-,36-,37-,38?,40-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104807
PNG
(CHEMBL3597502)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H90N16O9/c1-12-27(8)36(63-40(68)30(14-3)57-37(65)28(48)17-15-19-54-45(50)51)44(72)61-33(22-26(6)7)42(70)58-29(13-2)39(67)59-31(18-16-20-55-46(52)53)41(69)62-34(23-47(9,10)11)43(71)60-32(21-25(4)5)38(66)56-24-35(49)64/h25-34,36H,12-24,48H2,1-11H3,(H2,49,64)(H,56,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29?,30?,31-,32-,33-,34?,36-/m0/s1
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n/an/a 670n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104801
PNG
(CHEMBL3597508)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCCCN
Show InChI InChI=1S/C95H180N46O20S2/c1-9-51(8)71-87(161)138-64(42-50(6)7)84(158)140-65(46-162-163-47-66(86(160)141-71)139-73(147)52(97)20-10-11-31-96)85(159)134-60(28-19-39-123-95(114)115)81(155)136-63(41-49(4)5)83(157)137-62(40-48(2)3)82(156)135-61(29-30-67(98)142)74(148)126-44-69(144)124-43-68(143)125-45-70(145)127-54(22-13-33-117-89(102)103)75(149)129-56(24-15-35-119-91(106)107)77(151)131-58(26-17-37-121-93(110)111)79(153)133-59(27-18-38-122-94(112)113)80(154)132-57(25-16-36-120-92(108)109)78(152)130-55(23-14-34-118-90(104)105)76(150)128-53(72(99)146)21-12-32-116-88(100)101/h48-66,71H,9-47,96-97H2,1-8H3,(H2,98,142)(H2,99,146)(H,124,144)(H,125,143)(H,126,148)(H,127,145)(H,128,150)(H,129,149)(H,130,152)(H,131,151)(H,132,154)(H,133,153)(H,134,159)(H,135,156)(H,136,155)(H,137,157)(H,138,161)(H,139,147)(H,140,158)(H,141,160)(H4,100,101,116)(H4,102,103,117)(H4,104,105,118)(H4,106,107,119)(H4,108,109,120)(H4,110,111,121)(H4,112,113,122)(H4,114,115,123)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,71-/m0/s1
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n/an/a 749n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104803
PNG
(CHEMBL3597506)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C50H93N17O10/c1-10-28(6)38-47(77)65-35(24-27(4)5)45(75)63-31(16-11-12-17-32(43(73)67-38)61-40(70)29(51)15-13-21-58-48(54)55)41(71)62-33(18-14-22-59-49(56)57)42(72)66-36(25-50(7,8)9)46(76)64-34(23-26(2)3)44(74)60-30(39(53)69)19-20-37(52)68/h26-36,38H,10-25,51H2,1-9H3,(H2,52,68)(H2,53,69)(H,60,74)(H,61,70)(H,62,71)(H,63,75)(H,64,76)(H,65,77)(H,66,72)(H,67,73)(H4,54,55,58)(H4,56,57,59)/t28-,29-,30-,31-,32+,33-,34-,35-,36?,38-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104799
PNG
(CHEMBL3597510)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C96H182N48O20S2/c1-10-50(6)70-86(164)140-62(41-49(4)5)82(160)143-64(84(162)138-60(28-19-39-126-95(116)117)80(158)141-63(42-96(7,8)9)83(161)139-61(40-48(2)3)81(159)131-52(71(99)149)29-30-66(98)145)46-165-166-47-65(85(163)144-70)142-74(152)54(22-13-33-120-89(104)105)130-69(148)45-128-67(146)43-127-68(147)44-129-73(151)53(21-12-32-119-88(102)103)133-76(154)56(24-15-35-122-91(108)109)135-78(156)58(26-17-37-124-93(112)113)137-79(157)59(27-18-38-125-94(114)115)136-77(155)57(25-16-36-123-92(110)111)134-75(153)55(23-14-34-121-90(106)107)132-72(150)51(97)20-11-31-118-87(100)101/h48-65,70H,10-47,97H2,1-9H3,(H2,98,145)(H2,99,149)(H,127,147)(H,128,146)(H,129,151)(H,130,148)(H,131,159)(H,132,150)(H,133,154)(H,134,153)(H,135,156)(H,136,155)(H,137,157)(H,138,162)(H,139,161)(H,140,164)(H,141,158)(H,142,152)(H,143,160)(H,144,163)(H4,100,101,118)(H4,102,103,119)(H4,104,105,120)(H4,106,107,121)(H4,108,109,122)(H4,110,111,123)(H4,112,113,124)(H4,114,115,125)(H4,116,117,126)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,70-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104809
PNG
(CHEMBL3597500)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C52H95N19O10/c1-11-29(7)40(71-43(75)32(12-2)64-42(74)31(53)15-13-19-61-50(56)57)49(81)69-36(22-28(5)6)46(78)68-37(23-30-25-60-26-63-30)47(79)66-34(16-14-20-62-51(58)59)44(76)70-38(24-52(8,9)10)48(80)67-35(21-27(3)4)45(77)65-33(41(55)73)17-18-39(54)72/h25-29,31-38,40H,11-24,53H2,1-10H3,(H2,54,72)(H2,55,73)(H,60,63)(H,64,74)(H,65,77)(H,66,79)(H,67,80)(H,68,78)(H,69,81)(H,70,76)(H,71,75)(H4,56,57,61)(H4,58,59,62)/t29-,31-,32?,33-,34-,35-,36-,37-,38?,40-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104806
PNG
(CHEMBL3597503)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC=C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C52H95N17O10/c1-12-17-33(64-47(77)37(26-29(6)7)67-49(79)40(30(8)14-3)69-45(75)34(18-13-2)63-42(72)31(53)19-15-23-60-50(56)57)43(73)65-35(20-16-24-61-51(58)59)44(74)68-38(27-52(9,10)11)48(78)66-36(25-28(4)5)46(76)62-32(41(55)71)21-22-39(54)70/h12-13,28-38,40H,1-2,14-27,53H2,3-11H3,(H2,54,70)(H2,55,71)(H,62,76)(H,63,72)(H,64,77)(H,65,73)(H,66,78)(H,67,79)(H,68,74)(H,69,75)(H4,56,57,60)(H4,58,59,61)/t30-,31-,32-,33?,34+,35-,36-,37-,38?,40-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104797
PNG
(CHEMBL3597514)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C51H96N30O9/c52-29(26-27-15-17-28(82)18-16-27)38(84)76-31(9-2-20-69-46(56)57)40(86)78-33(11-4-22-71-48(60)61)42(88)80-35(13-6-24-73-50(64)65)44(90)81-36(14-7-25-74-51(66)67)43(89)79-34(12-5-23-72-49(62)63)41(87)77-32(10-3-21-70-47(58)59)39(85)75-30(37(53)83)8-1-19-68-45(54)55/h15-18,29-36,82H,1-14,19-26,52H2,(H2,53,83)(H,75,85)(H,76,84)(H,77,87)(H,78,86)(H,79,89)(H,80,88)(H,81,90)(H4,54,55,68)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104798
PNG
(CHEMBL3597513)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C101H186N50O20/c1-9-55(8)77(151-88(166)61(20-10-11-31-102)139-79(157)58(103)43-56-45-122-50-135-56)93(171)150-71(42-54(6)7)91(169)149-72(44-57-46-123-51-136-57)92(170)145-67(28-19-39-131-101(120)121)87(165)147-70(41-53(4)5)90(168)148-69(40-52(2)3)89(167)146-68(29-30-73(104)152)80(158)134-48-75(154)132-47-74(153)133-49-76(155)137-60(22-13-33-125-95(108)109)81(159)140-63(24-15-35-127-97(112)113)83(161)142-65(26-17-37-129-99(116)117)85(163)144-66(27-18-38-130-100(118)119)86(164)143-64(25-16-36-128-98(114)115)84(162)141-62(23-14-34-126-96(110)111)82(160)138-59(78(105)156)21-12-32-124-94(106)107/h45-46,50-55,58-72,77H,9-44,47-49,102-103H2,1-8H3,(H2,104,152)(H2,105,156)(H,122,135)(H,123,136)(H,132,154)(H,133,153)(H,134,158)(H,137,155)(H,138,160)(H,139,157)(H,140,159)(H,141,162)(H,142,161)(H,143,164)(H,144,163)(H,145,170)(H,146,167)(H,147,165)(H,148,168)(H,149,169)(H,150,171)(H,151,166)(H4,106,107,124)(H4,108,109,125)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)/t55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50104802
PNG
(CHEMBL3597507)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C53H93N19O10/c1-9-31(8)43(72-47(77)36(13-10-11-17-54)66-45(75)34(55)22-32-24-60-26-63-32)52(82)71-40(21-30(6)7)50(80)70-41(23-33-25-61-27-64-33)51(81)67-37(14-12-18-62-53(58)59)46(76)68-39(20-29(4)5)49(79)69-38(19-28(2)3)48(78)65-35(44(57)74)15-16-42(56)73/h24-31,34-41,43H,9-23,54-55H2,1-8H3,(H2,56,73)(H2,57,74)(H,60,63)(H,61,64)(H,65,78)(H,66,75)(H,67,81)(H,68,76)(H,69,79)(H,70,80)(H,71,82)(H,72,77)(H4,58,59,62)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,43-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method


Bioorg Med Chem 23: 4132-8 (2015)


Article DOI: 10.1016/j.bmc.2015.06.067
BindingDB Entry DOI: 10.7270/Q2V989T0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%