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73 SMILES Strings for Anti-estrogen binding site (AEBS)

Compound NameSMILES String
BDBM8885 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
BDBM8903 [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
BDBM19441 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
BDBM18957 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
BDBM20607 CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM22984 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
BDBM55354 CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccccc1
BDBM71545 CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1
BDBM79181 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM81982 Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
BDBM50003027 CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
BDBM50013260 NC(NCc1ccccc1)=Nc1nc(cs1)-c1cc2ccccc2[nH]1 |w:10.11|
BDBM50010618 CCCN1CCC[C@@H](C1)c1cccc(O)c1
BDBM50018518 CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
BDBM50020285 CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccc(O)c(OC)c1
BDBM50020286 CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccc(O)c(OC)c1)\c1ccccc1
BDBM50170655 C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
BDBM50170663 [H][C@@]1([#6])[#6]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:2:1:11.5.4:16.14.15,17:16:1:11.5.4,10:11:1:16.14.15|
BDBM50047016 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
BDBM50065941 COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6|
BDBM50080017 C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
BDBM50135147 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C |r,c:22|
BDBM50170636 OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc23)CC1 |c:18|
BDBM50170637 CCN(CC)CCOc1ccc(cc1)C(O)(Cc1ccc(Cl)cc1)c1ccc(C)cc1
BDBM50170638 CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC
BDBM50170639 CN(C1CCN(CCCCOc2ccccc2)C1)c1nc2ccccc2s1
BDBM50170641 CCN(C\C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1
BDBM50170642 N=C(NCCSC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1
BDBM50170645 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C |r,c:33,t:18|
BDBM50170646 OC(=O)c1ccc(CCN2CCN(C\C=C\c3ccc(Cl)cc3)CC2)cc1
BDBM50170647 CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
BDBM50170648 CC(C)[C@@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
BDBM50170649 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@@]2(C)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |c:33,t:19|
BDBM50170650 Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1 |wU:10.10,wD:13.14,(3.57,-2.64,;3.57,-1.1,;2.24,-.33,;2.24,1.21,;3.57,2,;4.91,1.23,;4.91,-.33,;6.24,-1.1,;7.57,-.31,;8.91,-1.08,;10.24,-.31,;10.24,1.21,;11.58,1.98,;12.91,1.21,;14.24,1.98,;15.59,1.21,;16.92,1.98,;18.25,1.21,;18.23,-.33,;19.56,-1.1,;20.91,-.33,;20.91,1.21,;19.58,1.98,;19.58,3.52,;12.91,-.33,;11.58,-1.1,)|
BDBM50170651 CCN(CC)CCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1 |c:27|
BDBM50170652 CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1
BDBM50170653 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9|
BDBM50170654 CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
BDBM50170657 CCCCN1CCC2(CCCc3ccccc23)CC1
BDBM50170656 CCN(CC)CCOc1ccc(cc1)C(\CC)=C(/CC)c1ccc(OCCN(CC)CC)cc1
BDBM50170665 C[C@@H]1C2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 |t:15|
BDBM50170658 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11CCC(C)CN1
BDBM50170659 CCCCCCCCCCCCC(CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
BDBM50170660 CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
BDBM50170661 CC(C)[C@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
BDBM50170662 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CCC(C)CN1 |t:8|
BDBM50170664 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
BDBM50299280 FCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM50338990 COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
BDBM50334158 FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM50361992 FCCCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM50396752 COc1ccc(CCN2CCc3cc(O)c(OC)cc3C2)cc1OC
BDBM50396753 COc1cccc(CCN2CCc3cc(O)c(OC)cc3C2)c1
BDBM50396754 COc1cc2CN(CCc3ccc(Cl)cc3)CCc2cc1O
BDBM50411320 CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO\N=C\c2ccc(O)c(c2)C(=O)NCN[C@H]2C[C@H](O[C@H]3C[C@@](O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)CO)O[C@@H](C)[C@H]2O)cc1)c1ccccc1 |r|
BDBM50411319 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCNC(=O)c6ccccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
BDBM50412076 CC(C)[C@@H]1CN(C1=O)C1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@H]2C1=O)[C@H](C)N(C)C |r,t:9|
BDBM50412077 [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6]-[#6@@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7](-[#6])-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#7](-[#6])-[#6] |r|
BDBM50412078 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)c1ccccc1)N(C)C |r|
BDBM50412079 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)c1ccccc51)N(C)C |r|
BDBM50412080 CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)N(C)C |r,c:20|
BDBM50412081 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@H]([C@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N1C(=O)c2ccccc2C1=O)N(C)C |r|
BDBM50412082 C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C |r,c:25|
BDBM50412083 CC(C)[C@@H]1CN(C1=O)C1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](O)[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2C1=O |r,t:9|
BDBM50430553 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)CCCC=C |r|
BDBM50430554 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(CCCC=C)Cc1ccccc1 |r|
BDBM50430555 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(Cc1ccccc1)Cc1ccccc1 |r|
BDBM50430556 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)Cc1ccccc1 |r|
BDBM50430557 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)NCCCC=C |r|
BDBM50430558 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)NCc1ccccc1 |r|
BDBM50430559 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H](N)CC[C@]12C |r|
BDBM50430560 CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)C |r|