SMILES for Histone-lysine N-methyltransferase SETDB1

12 SMILES Strings for Histone-lysine N-methyltransferase SETDB1

Compound Name

SMILES String

BDBM50521987

CC(=O)NCc1cc(Br)ccc1-n1c(C)nnc1C |(33.72,-8.68,;32.39,-7.91,;32.38,-6.37,;31.06,-8.69,;29.72,-7.92,;28.39,-8.7,;28.4,-10.25,;27.06,-11.02,;27.06,-12.56,;25.72,-10.25,;25.73,-8.7,;27.05,-7.93,;27.05,-6.39,;25.8,-5.5,;24.33,-5.98,;26.27,-4.03,;27.81,-4.03,;28.29,-5.49,;29.75,-5.96,)|

BDBM50521991

CC(=O)NCc1cc(C)ccc1-n1c(C)nnc1C |(66.51,-7.32,;65.17,-6.56,;65.17,-5.02,;63.84,-7.33,;62.5,-6.57,;61.17,-7.34,;61.18,-8.89,;59.84,-9.66,;59.84,-11.2,;58.51,-8.89,;58.51,-7.35,;59.84,-6.58,;59.83,-5.04,;61.07,-4.14,;62.54,-4.61,;60.59,-2.67,;59.05,-2.68,;58.58,-4.14,;57.12,-4.63,)|

BDBM50521992

CC(=O)NCc1cc(Cl)ccc1-n1c(C)nnc1C |(40.76,-7.93,;39.42,-7.16,;39.41,-5.62,;38.09,-7.94,;36.75,-7.17,;35.42,-7.95,;35.43,-9.5,;34.09,-10.27,;34.09,-11.81,;32.75,-9.5,;32.76,-7.96,;34.09,-7.19,;34.08,-5.65,;35.32,-4.74,;36.78,-5.21,;34.84,-3.28,;33.3,-3.28,;32.83,-4.75,;31.36,-5.23,)|

BDBM50521986

CC(=O)NCc1cc(ccc1-n1c(C)nnc1C)C#N |(53.93,-7.53,;52.59,-6.77,;52.59,-5.23,;51.26,-7.54,;49.93,-6.78,;48.6,-7.55,;48.6,-9.1,;47.26,-9.87,;45.93,-9.1,;45.93,-7.56,;47.26,-6.79,;47.26,-5.25,;48.49,-4.35,;49.96,-4.82,;48.01,-2.88,;46.47,-2.89,;46,-4.35,;44.54,-4.84,;47.26,-11.41,;47.26,-12.95,)|

BDBM50521990

CC(=O)NCc1ccccc1-n1c(C)nnc1C |(16.59,-9.42,;15.25,-8.66,;15.25,-7.12,;13.92,-9.43,;12.59,-8.67,;11.26,-9.44,;11.26,-10.99,;9.92,-11.76,;8.59,-10.99,;8.59,-9.45,;9.92,-8.68,;9.92,-7.14,;8.66,-6.24,;7.2,-6.73,;9.13,-4.78,;10.67,-4.77,;11.15,-6.24,;12.62,-6.71,)|

BDBM50051117

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1

BDBM225230

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

BDBM50521988

C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN(C)C)C(=O)NCC(=O)NCc1nnc(C)n1-c1ccccc1CNC(C)=O |r,wU:7.7,1.1,wD:13.14,3.21,(17.89,-23.83,;16.56,-23.06,;15.22,-23.83,;16.56,-21.52,;15.22,-20.75,;13.89,-21.52,;13.89,-23.06,;12.56,-20.75,;12.56,-19.21,;13.89,-18.44,;11.22,-21.52,;9.89,-20.75,;9.89,-19.21,;8.56,-21.52,;7.22,-20.75,;8.56,-23.06,;7.22,-23.83,;7.22,-25.37,;5.89,-26.14,;5.89,-27.68,;4.55,-28.45,;7.22,-28.45,;17.89,-20.75,;17.89,-19.21,;19.23,-21.52,;20.56,-20.75,;21.89,-21.52,;21.89,-23.06,;23.23,-20.75,;24.56,-21.52,;25.9,-20.74,;26.36,-19.28,;27.9,-19.27,;28.39,-20.73,;29.85,-21.2,;27.15,-21.64,;27.16,-23.18,;25.82,-23.95,;25.83,-25.49,;27.17,-26.25,;28.5,-25.47,;28.49,-23.93,;29.82,-23.15,;31.16,-23.9,;32.48,-23.12,;33.82,-23.88,;32.47,-21.58,)|

BDBM50521989

Cc1nnc(C)n1-c1ccccc1CNS(C)(=O)=O |(26.57,-10.36,;28.03,-9.88,;28.5,-8.42,;30.04,-8.41,;30.52,-9.88,;31.99,-10.35,;29.28,-10.79,;29.29,-12.33,;27.97,-13.1,;27.96,-14.64,;29.3,-15.41,;30.64,-14.64,;30.63,-13.09,;31.96,-12.32,;33.3,-13.08,;33.3,-14.61,;31.97,-15.4,;34.84,-14.61,;34.07,-15.95,)|

BDBM50063670

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)-c1ccccc1 |r|

BDBM50009672

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

BDBM50530712

N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O |r|