Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50309553' 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 |
|---|
Estrogen receptor
(Homo sapiens (Human)) | BDBM50309553
(CHEMBL605828 | Per-6-(estradiol-17-(1H-1,2,3-triaz...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)c1cn(CC[C@H]2O[C@@H]3O[C@@H]4[C@@H](Cn5cc(nn5)[C@]5(O)CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@]56C)O[C@H](O[C@@H]5[C@@H](Cn6cc(nn6)[C@]6(O)CC[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]67C)O[C@H](O[C@@H]6[C@@H](Cn7cc(nn7)[C@]7(O)CC[C@H]8[C@@H]9CCc%10cc(O)ccc%10[C@H]9CC[C@]78C)O[C@H](O[C@@H]7[C@@H](Cn8cc(nn8)[C@]8(O)CC[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@H]%10CC[C@]89C)O[C@H](O[C@@H]8[C@@H](Cn9cc(nn9)[C@]9(O)CC[C@H]%10[C@@H]%11CCc%12cc(O)ccc%12[C@H]%11CC[C@]9%10C)O[C@H](O[C@@H]9[C@@H](Cn%10cc(nn%10)[C@]%10(O)CC[C@H]%11[C@@H]%12CCc%13cc(O)ccc%13[C@H]%12CC[C@]%10%11C)O[C@H](O[C@H]2[C@H](O)[C@H]3O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn1 |r| Show InChI InChI=1S/C183H233N21O42/c1-170-51-36-107-100-29-15-93(205)66-86(100)8-22-114(107)121(170)43-58-177(170,226)135-79-198(191-184-135)65-50-128-156-142(212)149(219)163(233-128)241-157-129(73-199-80-136(185-192-199)178(227)59-44-122-115-23-9-87-67-94(206)16-30-101(87)108(115)37-52-171(122,178)2)235-165(151(221)144(157)214)243-159-131(75-201-82-138(187-194-201)180(229)61-46-124-117-25-11-89-69-96(208)18-32-103(89)110(117)39-54-173(124,180)4)237-167(153(223)146(159)216)245-161-133(77-203-84-140(189-196-203)182(231)63-48-126-119-27-13-91-71-98(210)20-34-105(91)112(119)41-56-175(126,182)6)239-169(155(225)148(161)218)246-162-134(78-204-85-141(190-197-204)183(232)64-49-127-120-28-14-92-72-99(211)21-35-106(92)113(120)42-57-176(127,183)7)238-168(154(224)147(162)217)244-160-132(76-202-83-139(188-195-202)181(230)62-47-125-118-26-12-90-70-97(209)19-33-104(90)111(118)40-55-174(125,181)5)236-166(152(222)145(160)215)242-158-130(234-164(240-156)150(220)143(158)213)74-200-81-137(186-193-200)179(228)60-45-123-116-24-10-88-68-95(207)17-31-102(88)109(116)38-53-172(123,179)3/h15-21,29-35,66-72,79-85,107-134,142-169,205-232H,8-14,22-28,36-65,73-78H2,1-7H3/t107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122+,123+,124+,125+,126+,127+,128-,129-,130-,131-,132-,133-,134-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170+,171+,172+,173+,174+,175+,176+,177-,178-,179-,180-,181-,182-,183-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation of alkaline phosphatase activity after 4 days by microplate scanning s... |
Bioorg Med Chem 18: 809-21 (2010)
Article DOI: 10.1016/j.bmc.2009.11.046
BindingDB Entry DOI: 10.7270/Q28K797G |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50309553
(CHEMBL605828 | Per-6-(estradiol-17-(1H-1,2,3-triaz...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)c1cn(CC[C@H]2O[C@@H]3O[C@@H]4[C@@H](Cn5cc(nn5)[C@]5(O)CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@]56C)O[C@H](O[C@@H]5[C@@H](Cn6cc(nn6)[C@]6(O)CC[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]67C)O[C@H](O[C@@H]6[C@@H](Cn7cc(nn7)[C@]7(O)CC[C@H]8[C@@H]9CCc%10cc(O)ccc%10[C@H]9CC[C@]78C)O[C@H](O[C@@H]7[C@@H](Cn8cc(nn8)[C@]8(O)CC[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@H]%10CC[C@]89C)O[C@H](O[C@@H]8[C@@H](Cn9cc(nn9)[C@]9(O)CC[C@H]%10[C@@H]%11CCc%12cc(O)ccc%12[C@H]%11CC[C@]9%10C)O[C@H](O[C@@H]9[C@@H](Cn%10cc(nn%10)[C@]%10(O)CC[C@H]%11[C@@H]%12CCc%13cc(O)ccc%13[C@H]%12CC[C@]%10%11C)O[C@H](O[C@H]2[C@H](O)[C@H]3O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn1 |r| Show InChI InChI=1S/C183H233N21O42/c1-170-51-36-107-100-29-15-93(205)66-86(100)8-22-114(107)121(170)43-58-177(170,226)135-79-198(191-184-135)65-50-128-156-142(212)149(219)163(233-128)241-157-129(73-199-80-136(185-192-199)178(227)59-44-122-115-23-9-87-67-94(206)16-30-101(87)108(115)37-52-171(122,178)2)235-165(151(221)144(157)214)243-159-131(75-201-82-138(187-194-201)180(229)61-46-124-117-25-11-89-69-96(208)18-32-103(89)110(117)39-54-173(124,180)4)237-167(153(223)146(159)216)245-161-133(77-203-84-140(189-196-203)182(231)63-48-126-119-27-13-91-71-98(210)20-34-105(91)112(119)41-56-175(126,182)6)239-169(155(225)148(161)218)246-162-134(78-204-85-141(190-197-204)183(232)64-49-127-120-28-14-92-72-99(211)21-35-106(92)113(120)42-57-176(127,183)7)238-168(154(224)147(162)217)244-160-132(76-202-83-139(188-195-202)181(230)62-47-125-118-26-12-90-70-97(209)19-33-104(90)111(118)40-55-174(125,181)5)236-166(152(222)145(160)215)242-158-130(234-164(240-156)150(220)143(158)213)74-200-81-137(186-193-200)179(228)60-45-123-116-24-10-88-68-95(207)17-31-102(88)109(116)38-53-172(123,179)3/h15-21,29-35,66-72,79-85,107-134,142-169,205-232H,8-14,22-28,36-65,73-78H2,1-7H3/t107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122+,123+,124+,125+,126+,127+,128-,129-,130-,131-,132-,133-,134-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170+,171+,172+,173+,174+,175+,176+,177-,178-,179-,180-,181-,182-,183-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Activation of ERalpha-mediated ERE activity in human T47D/PKC cells coexpressing PKCalpha after 18 hrs by luciferase reporter gene assay |
Bioorg Med Chem 18: 809-21 (2010)
Article DOI: 10.1016/j.bmc.2009.11.046
BindingDB Entry DOI: 10.7270/Q28K797G |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50309553
(CHEMBL605828 | Per-6-(estradiol-17-(1H-1,2,3-triaz...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)c1cn(CC[C@H]2O[C@@H]3O[C@@H]4[C@@H](Cn5cc(nn5)[C@]5(O)CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@]56C)O[C@H](O[C@@H]5[C@@H](Cn6cc(nn6)[C@]6(O)CC[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]67C)O[C@H](O[C@@H]6[C@@H](Cn7cc(nn7)[C@]7(O)CC[C@H]8[C@@H]9CCc%10cc(O)ccc%10[C@H]9CC[C@]78C)O[C@H](O[C@@H]7[C@@H](Cn8cc(nn8)[C@]8(O)CC[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@H]%10CC[C@]89C)O[C@H](O[C@@H]8[C@@H](Cn9cc(nn9)[C@]9(O)CC[C@H]%10[C@@H]%11CCc%12cc(O)ccc%12[C@H]%11CC[C@]9%10C)O[C@H](O[C@@H]9[C@@H](Cn%10cc(nn%10)[C@]%10(O)CC[C@H]%11[C@@H]%12CCc%13cc(O)ccc%13[C@H]%12CC[C@]%10%11C)O[C@H](O[C@H]2[C@H](O)[C@H]3O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn1 |r| Show InChI InChI=1S/C183H233N21O42/c1-170-51-36-107-100-29-15-93(205)66-86(100)8-22-114(107)121(170)43-58-177(170,226)135-79-198(191-184-135)65-50-128-156-142(212)149(219)163(233-128)241-157-129(73-199-80-136(185-192-199)178(227)59-44-122-115-23-9-87-67-94(206)16-30-101(87)108(115)37-52-171(122,178)2)235-165(151(221)144(157)214)243-159-131(75-201-82-138(187-194-201)180(229)61-46-124-117-25-11-89-69-96(208)18-32-103(89)110(117)39-54-173(124,180)4)237-167(153(223)146(159)216)245-161-133(77-203-84-140(189-196-203)182(231)63-48-126-119-27-13-91-71-98(210)20-34-105(91)112(119)41-56-175(126,182)6)239-169(155(225)148(161)218)246-162-134(78-204-85-141(190-197-204)183(232)64-49-127-120-28-14-92-72-99(211)21-35-106(92)113(120)42-57-176(127,183)7)238-168(154(224)147(162)217)244-160-132(76-202-83-139(188-195-202)181(230)62-47-125-118-26-12-90-70-97(209)19-33-104(90)111(118)40-55-174(125,181)5)236-166(152(222)145(160)215)242-158-130(234-164(240-156)150(220)143(158)213)74-200-81-137(186-193-200)179(228)60-45-123-116-24-10-88-68-95(207)17-31-102(88)109(116)38-53-172(123,179)3/h15-21,29-35,66-72,79-85,107-134,142-169,205-232H,8-14,22-28,36-65,73-78H2,1-7H3/t107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122+,123+,124+,125+,126+,127+,128-,129-,130-,131-,132-,133-,134-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170+,171+,172+,173+,174+,175+,176+,177-,178-,179-,180-,181-,182-,183-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >100 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Activation of ERalpha-mediated ERE activity in human T47D/neo cells after 18 hrs by luciferase reporter gene assay |
Bioorg Med Chem 18: 809-21 (2010)
Article DOI: 10.1016/j.bmc.2009.11.046
BindingDB Entry DOI: 10.7270/Q28K797G |
More data for this
Ligand-Target Pair | |
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