33 SMILES Strings for Histone-lysine N-methyltransferase, H3 lysine-36 specific

Compound Name
SMILES String
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
COC(=O)COc1cc(F)c(-c2cc(Cn3cnc4c(N)ncnc43)c(N3CCC[C@](N)([C@H](O)C(F)F)C3)cn2)cc1F
Nc1cccc2c(cccc12)S(=O)(=O)NCc1ccccc1
COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(C)CC1
Nc1nc2c(O)cc(Br)cc2s1
CC1CN1c1cc(O)c2nc(N)sc2c1
CC#CC(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2ncccc2C1=O |c:14|
Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|
CCN(C1CCOCC1)c1cc(CNC(=O)C=C)cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c1C
C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC
O=C([C@H]1Cc2ccccc2C(=O)O1)N1CCN(Cc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1 |r|
Nc1nc2c(O)cc(SC#N)cc2s1
Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@](N)(COC4CC4)C3)-c3ccc(F)c(F)c3)cnc12 |r|
COC[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|
COC[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1cc(Cl)ccc1F |r|
COC[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)cc1F |r|
COc1ccc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@](N)(COC2CCC2)C1 |r|
OCCNCCNC1=CC=C(NCCNCCO)C2C1C(=O)c1c(O)ccc(O)c1C2=O
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|
COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C
O=C(NCCCN(Cc1nc2sc3CCCCc3c2c(=O)[nH]1)Cc1nc2sc3CCCCc3c2c(=O)[nH]1)c1cc2ccccc2c(=O)o1
CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|
CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|
N[C@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc(C4CC4)on2)C3)CC1
O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(nn1)C1CC1
c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl
COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1