SMILES for Serine/threonine-protein kinase Nek7

CC(C)(C)c1cc(NC(=O)NC2CCC(CC2)c2cn(C3CC3)c3ncnc(N)c23)on1 |(5.4,7.34,;5.88,5.87,;7.39,5.55,;6.91,7.02,;4.85,4.73,;3.32,4.89,;2.69,3.48,;1.19,3.16,;.16,4.31,;.63,5.77,;-1.35,3.99,;-1.83,2.52,;-.8,1.38,;-1.27,-.09,;-2.78,-.41,;-3.81,.74,;-3.33,2.2,;-3.25,-1.87,;-2.35,-3.12,;-3.25,-4.37,;-2.78,-5.83,;-3.1,-7.34,;-1.63,-6.86,;-4.72,-3.89,;-6.05,-4.66,;-7.39,-3.89,;-7.39,-2.35,;-6.05,-1.58,;-6.05,-.04,;-4.72,-2.35,;3.84,2.45,;5.17,3.22,)|

BDBM522994

CC(C)(C)c1csc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)n1

BDBM522995

CC(C)(C)c1nnc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)s1

BDBM522996

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)sn1

BDBM522997

CC(C)(C)c1nsc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)n1

BDBM522998

CC(C)(C)n1cnc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)n1

BDBM522999

CC(C)(C)c1nnc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)o1

BDBM523000

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c(F)c3)c12)-c1cccnc1

BDBM523001

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c(F)c3)c12)-c1ccncc1

BDBM523002

CN1CCC(CC1)n1cc(-c2ccc(NC(=O)Nc3cc(no3)C3(CC3)C(F)(F)F)c(F)c2)c2c(N)ncnc12

BDBM523003

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C(F)(F)F)c(F)c3)c12)C1CC1

BDBM523004

CC(C)(CO)c1cc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)on1

BDBM523005

CCC(C)c1cc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)on1

BDBM523006

CCC(CC)c1cc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)on1

BDBM523007

CC(C)(C#N)c1cc(NC(=O)Nc2ccc(cc2F)-c2cn(C3CC3)c3ncnc(N)c23)on1

BDBM523008

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(CO)no4)c(F)c3)c12)C1CC1

BDBM523009

Cc1cc(ccc1NC(=O)Nc1cc(no1)C1(CC1)C(F)(F)F)-c1cn(C2CC2)c2ncnc(N)c12

BDBM523010

Cc1cc(ncc1NC(=O)Nc1cc(no1)C1(CC1)C(F)(F)F)-c1cn(C2CC2)c2ncnc(N)c12

BDBM523011

Nc1ncnc2n(cc(-c3cc(F)c(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c(F)c3)c12)C1CC1

BDBM523012

Nc1ncnc2n(cc(-c3cc(F)c(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)cc3F)c12)C1CC1

BDBM523013

Nc1ncnc2n(cc(-c3c(F)cc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)cc3F)c12)C1CC1 |(4.57,-.85,;4.57,-2.39,;5.9,-3.16,;5.9,-4.7,;4.57,-5.47,;3.24,-4.7,;1.77,-5.18,;.87,-3.93,;1.77,-2.68,;1.3,-1.22,;-.21,-.9,;-1.24,-2.04,;-.69,.57,;.34,1.71,;-.13,3.18,;-1.64,3.5,;-2.67,2.35,;-2.11,4.96,;-3.62,5.28,;-4.25,6.69,;-5.78,6.53,;-6.1,5.02,;-4.76,4.25,;-6.81,7.67,;-7.39,9.1,;-5.86,8.88,;-8.11,6.85,;-9.42,6.04,;-8.93,8.16,;-7.3,5.55,;1.85,1.39,;2.33,-.07,;3.83,-.39,;3.24,-3.16,;1.3,-6.64,;1.62,-8.15,;.15,-7.67,)|

BDBM523014

Nc1ncnc2n(cc(-c3cnc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c(F)c3)c12)C1CC1

BDBM523015

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CCC4)C(F)(F)F)c(F)c3)c12)C1CC1

BDBM523016

Nc1ncnc2n(cc(-c3cnc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)nc3)c12)C1CC1

BDBM523017

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c(CO)c3)c12)C1CC1

BDBM523018

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c(c3)C#N)c12)C1CC1

BDBM523019

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c(F)c3)c12)C1CCC1

BDBM523020

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c(Cl)c3)c12)C1CC1

BDBM523021

COc1cc(ccc1NC(=O)Nc1cc(no1)C1(CC1)C(F)(F)F)-c1cn(C2CC2)c2ncnc(N)c12

BDBM523022

CN1CCC(C1)n1cc(-c2ccc(NC(=O)Nc3cc(no3)C3(CC3)C(F)(F)F)c(F)c2)c2c(N)ncnc12

BDBM523023

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c(F)c3)c12)C1CCC1

BDBM523024

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)cn3)c12)C1CC1

BDBM523025

Nc1ncnc2n(cc(-c3cc(F)c(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c(F)c3)c12)C1CC1

BDBM523026

Nc1nccc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c(F)c3)c12)C1CC1

BDBM674974

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c4ccccc34)c12)C1CC1

BDBM674975

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3cccnc23)on1

BDBM674976

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c4ncccc34)c12)C1CC1

BDBM674977

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4ncccc34)c12)C1CC1

BDBM674978

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3ccncc23)on1

BDBM674979

CC1(CC1)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3ccncc23)on1

BDBM674980

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c4cnccc34)c12)C1CC1

BDBM674981

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4cnccc34)c12)C1CC1

BDBM674982

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)c4ccncc34)cc2C(F)(F)F)CC1

BDBM674983

CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3ccncc23)cc1C(F)(F)F

BDBM674984

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)n(n1)-c1ccccc1

BDBM674985

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2cn(C3CC3)c3ncnc(N)c23)n2ccnc12)C(C)(C)C

BDBM674986

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)n(n1)-c1ccc(Cl)cc1

BDBM674987

Cc1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)on1

BDBM674988

CCc1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)on1

BDBM674989

CC(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)on1

BDBM674990

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)on1

BDBM674991

CC1(CC1)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)on1

BDBM674992

CC1(CCC1)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)on1

BDBM674993

CC(C)(F)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)on1

BDBM674994

CC(C)(c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)on1)C(F)(F)F

BDBM674995

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c4nccn34)c12)C1CC1

BDBM674996

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CCC4)C(F)(F)F)c4nccn34)c12)C1CC1

BDBM674997

Cc1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)no1

BDBM674998

CC(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)no1

BDBM674999

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)no1

BDBM675000

CC(C)(c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)no1)C(F)(F)F

BDBM675001

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4nccn34)c12)C1CC1

BDBM675002

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CCC4)C(F)(F)F)c4nccn34)c12)C1CC1

BDBM675003

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675004

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675005

CN1CCN(Cc2cc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)n4ccnc34)cc(c2)C(F)(F)F)CC1

BDBM675006

CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)cc1C(F)(F)F

BDBM675007

CCN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)n3ccnc23)cc1C(F)(F)F

BDBM675008

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4ccc(CN5CCN(CCO)CC5)c(c4)C(F)(F)F)c4nccn34)c12)C1CC1

BDBM675009

COCCN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675010

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4ccc(CN5CCN(CCF)CC5)c(c4)C(F)(F)F)c4nccn34)c12)C1CC1

BDBM675011

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4nc(cn34)C(F)(F)F)c12)C1CC1

BDBM675012

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)n4cc(nc34)C(F)(F)F)cc2C(F)(F)F)CC1

BDBM675013

Nc1ncnc2n(cc(-c3cnc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4nccn34)c12)C1CC1

BDBM675014

CN1CCN(Cc2ccc(NC(=O)Nc3ncc(-c4cn(C5CC5)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675015

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4OCCc34)c12)C1CC1

BDBM675016

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(c4CCOc34)-c3cn(C4CC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1

BDBM675017

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(c4CCOc34)-c3cn(C4CC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1

BDBM675018

CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(c3CCOc23)-c2cn(C3CC3)c3ncnc(N)c23)cc1C(F)(F)F

BDBM675019

CC1Cc2c(O1)c(NC(=O)Nc1cc(on1)C1(CC1)C(F)(F)F)ccc2-c1cn(C2CC2)c2ncnc(N)c12

BDBM675020

CC1Cc2c(O1)c(NC(=O)Nc1ccc(CN3CCN(C)CC3)c(c1)C(F)(F)F)ccc2-c1cn(C2CC2)c2ncnc(N)c12

BDBM675021

CC1Cc2c(O1)c(NC(=O)Nc1ccc(OC3CCN(C)CC3)c(c1)C(F)(F)F)ccc2-c1cn(C2CC2)c2ncnc(N)c12

BDBM675022

CC1(C)Cc2c(O1)c(NC(=O)Nc1cc(on1)C1(CC1)C(F)(F)F)ccc2-c1cn(C2CC2)c2ncnc(N)c12

BDBM675023

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(c4CC(C)(C)Oc34)-c3cn(C4CC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1

BDBM675024

CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(c3CC(C)(C)Oc23)-c2cn(C3CC3)c3ncnc(N)c23)cc1C(F)(F)F

BDBM675025

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3ccoc23)n(n1)-c1ccccc1

BDBM675026

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3ccoc23)on1

BDBM675027

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4(CC4)C(F)(F)F)c4occc34)c12)C1CC1

BDBM675028

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4occc34)c12)C1CC1

BDBM675029

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)c4ccoc34)cc2C(F)(F)F)CC1

BDBM675030

CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3ccoc23)cc1C(F)(F)F

BDBM675031

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4oncc34)c12)C1CC1

BDBM675032

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)c4cnoc34)cc2C(F)(F)F)CC1

BDBM675033

CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3cnoc23)cc1C(F)(F)F

BDBM675034

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4ocnc34)c12)C1CC1

BDBM675035

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)c4ncoc34)cc2C(F)(F)F)CC1

BDBM675036

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3nonc23)on1

BDBM675037

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4nonc34)c12)C1CC1

BDBM675038

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC5)c5ncnc(N)c45)c4nonc34)cc2C(F)(F)F)CC1

BDBM675039

CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3nonc23)cc1C(F)(F)F

BDBM675040

CC(C)n1cc(-c2ccc(NC(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c3nccn23)c2c(N)ncnc12

BDBM675041

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4nccn34)c12)C1CCC1

BDBM675042

Nc1ncnc2n(CCO)cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4nccn34)c12

BDBM675043

CC(C)(O)Cn1cc(-c2ccc(NC(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c3nccn23)c2c(N)ncnc12

BDBM675044

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4nccn34)c12)C1CC(O)C1 |(3.72,3.17,;3.72,4.71,;5.06,5.48,;5.06,7.02,;3.72,7.79,;2.39,7.02,;.92,7.49,;.02,6.25,;.92,5,;.45,3.54,;-1.06,3.21,;-1.53,1.75,;-.5,.61,;-.98,-.86,;-2.49,-1.18,;-3.52,-.03,;-2.96,-2.64,;-4.47,-2.96,;-5.09,-4.37,;-6.63,-4.21,;-6.95,-2.7,;-5.61,-1.93,;-7.66,-5.35,;-9.02,-6.08,;-8.96,-4.54,;-6.71,-6.57,;-5.76,-7.78,;-7.92,-7.52,;-5.49,-5.62,;1,.93,;2.25,.02,;3.5,.93,;3.02,2.39,;1.48,2.39,;2.39,5.48,;.45,8.96,;-.92,9.66,;-.22,11.03,;-.7,12.49,;1.15,10.33,)|

BDBM675045

COCCn1cc(-c2ccc(NC(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c3nccn23)c2c(N)ncnc12

BDBM675046

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4nccn34)c12)-c1cccnc1

BDBM675047

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4(CC4)C(F)(F)F)c4nccn34)c12)C1CCNCC1

BDBM675048

CN1CCC(CC1)n1cc(-c2ccc(NC(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c3nccn23)c2c(N)ncnc12

BDBM675049

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4nn(C5CC5)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675050

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(no4)C4CC4)c4nccn34)c12)C1CC1

BDBM675051

Nc1ncnc2n(cc(-c3ccc(NC(=O)Nc4cc(on4)C4CC4)c4nccn34)c12)C1CC1

BDBM675052

CCN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(c3CC(C)Oc23)-c2cn(C3CC3)c3ncnc(N)c23)cc1C(F)(F)F

BDBM675053

CC1(C)Cc2c(O1)c(NC(=O)Nc1cc(on1)C1(CC1)C(F)(F)F)ccc2-c1cn(C2CCC2)c2ncnc(N)c12

BDBM675054

CCN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(c3CC(C)(C)Oc23)-c2cn(C3CC3)c3ncnc(N)c23)cc1C(F)(F)F

BDBM675055

CCN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c3cnoc23)cc1C(F)(F)F

BDBM675056

Cn1cc(-c2ccc(NC(=O)Nc3cc(on3)C3(CC3)C(F)(F)F)c3nccn23)c2c(N)ncnc12

BDBM675057

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675058

CC(C)n1cc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)c3nccn23)c2c(N)ncnc12

BDBM675059

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CCC5)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675060

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(CCO)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675061

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(CC(C)(C)O)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675062

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CC(O)C5)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1 |(9.46,.94,;8.37,2.03,;6.88,1.63,;5.79,2.72,;6.19,4.21,;5.1,5.29,;3.62,4.9,;3.22,3.41,;1.73,3.01,;.64,4.1,;-.85,3.7,;-1.94,4.79,;-1.54,6.28,;-3.42,4.39,;-3.9,2.93,;-2.87,1.78,;-3.34,.32,;-4.85,-0,;-5.33,-1.47,;-4.42,-2.71,;-5.33,-3.96,;-4.85,-5.42,;-5.55,-6.8,;-4.18,-7.5,;-3.7,-8.96,;-3.48,-6.12,;-6.79,-3.48,;-8.13,-4.25,;-9.46,-3.48,;-9.46,-1.94,;-8.13,-1.17,;-8.13,.37,;-6.79,-1.94,;-5.88,1.14,;-7.42,1.14,;-7.9,2.61,;-6.65,3.51,;-5.41,2.61,;1.04,5.59,;2.59,6.08,;3.01,7.56,;3.43,9.04,;1.53,7.98,;4.49,7.14,;7.68,4.6,;8.77,3.51,)|

BDBM675063

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cn(C5CCNCC5)c5ncnc(N)c45)n4ccnc34)cc2C(F)(F)F)CC1

BDBM675064

CN1CCC(CC1)n1cc(-c2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)c3nccn23)c2c(N)ncnc12

BDBM675065

CC(C)n1cc(-c2ccc(NC(=O)Nc3ccc(OC4CCN(C)CC4)c(c3)C(F)(F)F)c3nccn23)c2c(N)ncnc12

BDBM675066

CCN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(-c3cn(C(C)C)c4ncnc(N)c34)n3ccnc23)cc1C(F)(F)F

BDBM675067

CCN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(-c3cn(C4CCC4)c4ncnc(N)c34)n3ccnc23)cc1C(F)(F)F

BDBM50506912

O=C1Nc2ccc3ncsc3c2\C1=C\c1c[nH]cn1

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM50203126

COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC

BDBM60665

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

BDBM50355496

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

BDBM50332294

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

BDBM50614762

CS(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:14|

BDBM50652793

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

BDBM50652792

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

BDBM50337134

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

BDBM50075102

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

BDBM50299148

C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|

BDBM50391802

c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O

BDBM50273636

NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1

BDBM50326053

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

BDBM50308060

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM16673

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM2579

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50026612

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM482158

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM12621

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM4552

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM50322823

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM26300

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM25117

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

BDBM6568

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM25617

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM5447

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM5931

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM50355495

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM13216

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

BDBM50355497

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM21

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

BDBM31085

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM4779

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM32362

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM24773

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

BDBM50355501

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

BDBM31090

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM6866

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM50429867

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

BDBM50440018

CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F