SMILES for MLL1-WRAD2 complex

55 SMILES Strings for MLL1-WRAD2 complex

Compound Name

SMILES String

BDBM552932

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1cc(C)c(F)c(C)c1)-c1cccc(CN2CCOCC2)c1

BDBM552933

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1

BDBM552948

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1

BDBM552949

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(nc1)N1CCOCC1

BDBM552950

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc2OCOc2c1

BDBM552951

C[C@@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM552952

C[C@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM552953

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM552954

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCCC1

BDBM552955

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(NC2CC2)nc1

BDBM552956

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(NC2CCCCC2)nc1

BDBM552957

CCOc1ncc(cn1)-c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(cc1F)N1CCN(C)CC1

BDBM552958

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(C)nc1

BDBM552959

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(NC2CCCCC2)nc1

BDBM552960

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(O)nc1

BDBM552962

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)C#N

BDBM552963

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(OCC(F)(F)F)nc1

BDBM552964

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cncnc1

BDBM552965

COc1ncc(c(OC)n1)-c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(cc1F)N1CCN(C)CC1

BDBM552966

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)F)-c1cnc(nc1)N1CCOCC1

BDBM552967

CN(C)C1CCN(C1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1

BDBM552968

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCOCC1 |t:31|

BDBM552969

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCNCC1 |t:31|

BDBM552970

CN1CCN(CC1)c1cc(F)ccc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F

BDBM552971

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1ccc(F)c(C)c1)-c1cnc(nc1)N1CCOCC1 |r|

BDBM552972

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)ccc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F |r|

BDBM552977

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(C)c(F)c(C)c1)-c1cnc(nc1)N1CCOCC1 |r|

BDBM552978

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(cc1)N1CCOCC1 |r|

BDBM552980

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(OC2CCOCC2)nc1

BDBM552981

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)C#N |r|

BDBM552982

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(nc1)N1CCOCC1 |r|

BDBM552983

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(C)nc1 |r|

BDBM552984

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM552985

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccnc1 |r|

BDBM552986

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccncc1 |r|

BDBM552987

CN(C)[C@@H]1CCN(C1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM552988

CN(C)[C@H]1CCN(C1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|

BDBM552989

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(OCC2CC2)nc1 |r|

BDBM552990

CN(C)c1ncc(cn1)-c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(cc1F)N1CCN(C)CC1

BDBM552991

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(CN2CCOCC2)nc1

BDBM525612

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cc(CN2CCOCC2)ccc1F

BDBM552994

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CNC2CCCC2)c1

BDBM552995

CC1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1

BDBM552996

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccnc(c1)N1CCOCC1

BDBM552997

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cncc(CN2CCOCC2)c1

BDBM552998

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cncc(CNC2CCOCC2)c1

BDBM552999

CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cncc(CNC2CCOC2)c1

BDBM553000

C[C@@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 |r|

BDBM553001

C[C@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 |r|

BDBM553002

C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1 |r|

BDBM553003

CN(C)C1CCN(C1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1

BDBM553004

CN1CCN(CC1)c1cc(Cl)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1

BDBM553006

CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1

BDBM50164794

CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1

BDBM553008

C[C@H]1CN(C[C@@H](C)N1C)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1 |r|