Compile Data Set for Download or QSAR

Found 140 hits of Enzyme Inhibition Constant Data   

TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225337(Chk1_17)
Show SMILES CCN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4cccc(OC)c4)-c3c2)CC1
Show InChI InChI=1S/C24H28N4O/c1-3-27-9-11-28(12-10-27)16-17-7-8-18-15-22-23(25-26-24(22)21(18)13-17)19-5-4-6-20(14-19)29-2/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H,25,26)
Affinity DataKi:  3.95E+3nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91897(Chk1_31)
Show SMILES CC(C)c1ccc(COc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)cc1
Show InChI InChI=1S/C22H20ClN5O2/c1-14(2)16-5-3-15(4-6-16)13-30-20-8-7-17(23)9-19(20)27-22(29)28-21-12-25-18(10-24)11-26-21/h3-9,11-12,14H,13H2,1-2H3,(H2,26,27,28,29)
Affinity DataKi:  6.05E+3nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91833(Chk1_107)
Show SMILES COc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H16ClN7O4/c1-35-19-7-17(29-22(33)21(32)14-10-27-16-5-3-2-4-13(14)16)15(24)6-18(19)30-23(34)31-20-11-26-12(8-25)9-28-20/h2-7,9-11,27H,1H3,(H,29,33)(H2,28,30,31,34)
Affinity DataKi:  6.54E+3nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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Ligand InfoPC cidPC sid
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91961(Chk1_92)
Show SMILES OC(C(O)=O)c1ccc2Nc3cc(Cl)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C15H11ClN2O4/c16-8-2-3-9-11(6-8)17-10-4-1-7(13(19)15(21)22)5-12(10)18-14(9)20/h1-6,13,17,19H,(H,18,20)(H,21,22)
Affinity DataKi:  6.64E+3nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91896(Chk1_30)
Show SMILES COc1ccc(Br)cc1COc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C20H15BrClN5O3/c1-29-17-4-2-13(21)6-12(17)11-30-18-5-3-14(22)7-16(18)26-20(28)27-19-10-24-15(8-23)9-25-19/h2-7,9-10H,11H2,1H3,(H2,25,26,27,28)
Affinity DataKi:  7.02E+3nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91855(Chk1_131)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cn(C)cn1
Show InChI InChI=1S/C20H18N4O3/c1-24-10-18(21-11-24)13-4-5-14-16(9-13)22-15-6-3-12(8-19(25)27-2)7-17(15)23-20(14)26/h3-7,9-11,22H,8H2,1-2H3,(H,23,26)
Affinity DataKi:  7.81E+3nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91949(Chk1_81)
Show SMILES CC(C)(C)OC(=O)NCCCCOc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H25ClN6O4/c1-21(2,3)32-20(30)24-8-4-5-9-31-17-7-6-14(22)10-16(17)27-19(29)28-18-13-25-15(11-23)12-26-18/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,24,30)(H2,26,27,28,29)
Affinity DataKi:  8.37E+3nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225348(Chk1_55)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccccc2N)c1
Show InChI InChI=1S/C24H28N4/c1-15-6-9-18(10-7-15)26-14-16-8-11-19-17(12-16)13-21-23(19)27-28-24(21)20-4-2-3-5-22(20)25/h2-5,8,11-12,15,18,26H,6-7,9-10,13-14,25H2,1H3,(H,27,28)
Affinity DataKi:  8.90E+3nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225336(Chk1_16)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2cc(C)cc(C)c2)c1
Show InChI InChI=1S/C26H31N3/c1-16-4-7-22(8-5-16)27-15-19-6-9-23-20(13-19)14-24-25(28-29-26(23)24)21-11-17(2)10-18(3)12-21/h6,9-13,16,22,27H,4-5,7-8,14-15H2,1-3H3,(H,28,29)
Affinity DataKi:  9.85E+3nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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Ligand InfoPC cidPC sid
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91958(Chk1_9)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2cnc(cn2)C#N)cc1
Show InChI InChI=1S/C12H8N6O3/c13-5-9-6-15-11(7-14-9)17-12(19)16-8-1-3-10(4-2-8)18(20)21/h1-4,6-7H,(H2,15,16,17,19)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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Ligand InfoKEGGPC cidPC sid
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225357(Chk1_93)
Show SMILES Oc1cc(NC(=O)Nc2cnc(cn2)C#N)n[nH]1
Show InChI InChI=1S/C9H7N7O2/c10-2-5-3-12-7(4-11-5)14-9(18)13-6-1-8(17)16-15-6/h1,3-4H,(H4,12,13,14,15,16,17,18)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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Ligand InfoPC cidPC sid
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91894(Chk1_29)
Show SMILES Clc1ccc(C#N)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C13H7ClN6O/c14-9-2-1-8(4-15)11(3-9)19-13(21)20-12-7-17-10(5-16)6-18-12/h1-3,6-7H,(H2,18,19,20,21)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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Ligand InfoPC cidPC sid
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91950(Chk1_82)
Show SMILES COc1ccc(Nc2[nH]nc-3c2Cc2ccccc-32)cc1
Show InChI InChI=1S/C17H15N3O/c1-21-13-8-6-12(7-9-13)18-17-15-10-11-4-2-3-5-14(11)16(15)19-20-17/h2-9H,10H2,1H3,(H2,18,19,20)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225368(Chk1_116)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3cccc(N)c3)-c2cc1OC
Show InChI InChI=1S/C24H21N3O2/c1-28-21-12-17-11-20-23(26-27-24(20)19(17)13-22(21)29-2)15-8-6-14(7-9-15)16-4-3-5-18(25)10-16/h3-10,12-13H,11,25H2,1-2H3,(H,26,27)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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Ligand InfoPC cidPC sid
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91895(Chk1_3)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(OCc4ccccc4)cc3)-c2cc1OC
Show InChI InChI=1S/C25H22N2O3/c1-28-22-13-18-12-21-24(26-27-25(21)20(18)14-23(22)29-2)17-8-10-19(11-9-17)30-15-16-6-4-3-5-7-16/h3-11,13-14H,12,15H2,1-2H3,(H,26,27)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91825(Chk1_10)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3cccc(Cl)c3NC2=O)c1
Show InChI InChI=1S/C20H15ClN2O3/c1-26-18-10-12(6-8-17(18)24)11-5-7-13-16(9-11)22-15-4-2-3-14(21)19(15)23-20(13)25/h2-10,22,24H,1H3,(H,23,25)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91863(Chk1_14)
Show SMILES Clc1ccc(Nc2ccc3c(Nc4ccccc4NC3=O)c2)cc1
Show InChI InChI=1S/C19H14ClN3O/c20-12-5-7-13(8-6-12)21-14-9-10-15-18(11-14)22-16-3-1-2-4-17(16)23-19(15)24/h1-11,21-22H,(H,23,24)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91940(Chk1_71)
Show SMILES Brc1nc(NC(=O)Nc2cnc(cn2)C#N)cc2ccccc12
Show InChI InChI=1S/C15H9BrN6O/c16-14-11-4-2-1-3-9(11)5-12(20-14)21-15(23)22-13-8-18-10(6-17)7-19-13/h1-5,7-8H,(H2,19,20,21,22,23)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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Ligand InfoPC cidPC sid
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91944(Chk1_75)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cnc(cn2)C#N)cc1
Show InChI InChI=1S/C16H17N5O/c1-16(2,3)11-4-6-12(7-5-11)20-15(22)21-14-10-18-13(8-17)9-19-14/h4-7,9-10H,1-3H3,(H2,19,20,21,22)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91882(Chk1_18)
Show SMILES CC(C)(C)OC(=O)N1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H23ClN6O4/c1-21(2,3)32-20(30)28-7-6-15(12-28)31-17-5-4-13(22)8-16(17)26-19(29)27-18-11-24-14(9-23)10-25-18/h4-5,8,10-11,15H,6-7,12H2,1-3H3,(H2,25,26,27,29)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91848(Chk1_124)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C26H20N2O3/c1-31-25(29)14-16-9-12-22-24(13-16)28-26(30)21-11-10-18(15-23(21)27-22)20-8-4-6-17-5-2-3-7-19(17)20/h2-13,15,27H,14H2,1H3,(H,28,30)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91884(Chk1_2)
Show SMILES COc1cc(OC)c(NC(=O)Nc2nccnn2)cc1Cl
Show InChI InChI=1S/C12H12ClN5O3/c1-20-9-6-10(21-2)8(5-7(9)13)16-12(19)17-11-14-3-4-15-18-11/h3-6H,1-2H3,(H2,14,16,17,18,19)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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Ligand InfoPC cidPC sid
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225349(Chk1_56)
Show SMILES OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2cccc(CC(O)=O)c2)c1
Show InChI InChI=1S/C25H27N3O3/c29-20-7-5-19(6-8-20)26-14-16-4-9-21-18(11-16)13-22-24(27-28-25(21)22)17-3-1-2-15(10-17)12-23(30)31/h1-4,9-11,19-20,26,29H,5-8,12-14H2,(H,27,28)(H,30,31)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91925(Chk1_58)
Show SMILES Nc1cccc(c1)-c1ccc2c(Nc3ccc(CC(O)=O)cc3NC2=O)c1
Show InChI InChI=1S/C21H17N3O3/c22-15-3-1-2-13(10-15)14-5-6-16-18(11-14)23-17-7-4-12(9-20(25)26)8-19(17)24-21(16)27/h1-8,10-11,23H,9,22H2,(H,24,27)(H,25,26)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91937(Chk1_69)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H20N2O4/c1-28-17-7-4-15(5-8-17)16-6-9-18-20(13-16)24-19-10-3-14(12-22(26)29-2)11-21(19)25-23(18)27/h3-11,13,24H,12H2,1-2H3,(H,25,27)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225358(Chk1_94)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)22-21-12-18-11-19(27)9-10-20(18)23(21)25-24-22/h1-11,26-27H,12-13H2,(H,24,25)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91927(Chk1_6)
Show SMILES COc1cc(ccc1NC(=O)Nc1cnc(cn1)C#N)[N+]([O-])=O
Show InChI InChI=1S/C13H10N6O4/c1-23-11-4-9(19(21)22)2-3-10(11)17-13(20)18-12-7-15-8(5-14)6-16-12/h2-4,6-7H,1H3,(H2,16,17,18,20)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225347(Chk1_54)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2cccc(CC(O)=O)c2)c1
Show InChI InChI=1S/C26H29N3O2/c1-16-5-8-21(9-6-16)27-15-18-7-10-22-20(12-18)14-23-25(28-29-26(22)23)19-4-2-3-17(11-19)13-24(30)31/h2-4,7,10-12,16,21,27H,5-6,8-9,13-15H2,1H3,(H,28,29)(H,30,31)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91853(Chk1_129)
Show SMILES COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C25H23N3O4/c1-14-9-20-22(13-19(14)17-5-4-6-18(12-17)26-15(2)29)27-21-8-7-16(11-24(30)32-3)10-23(21)28-25(20)31/h4-10,12-13,27H,11H2,1-3H3,(H,26,29)(H,28,31)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91909(Chk1_43)
Show SMILES OC(=O)c1ccccc1-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C20H14N2O3/c23-19-15-10-9-12(13-5-1-2-6-14(13)20(24)25)11-18(15)21-16-7-3-4-8-17(16)22-19/h1-11,21H,(H,22,23)(H,24,25)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91954(Chk1_86)
Show SMILES COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc2-c3ccccc3C(=O)c12
Show InChI InChI=1S/C23H16N2O3/c1-28-19-12-15(10-11-18(19)26)13-6-8-14(9-7-13)21-20-22(25-24-21)16-4-2-3-5-17(16)23(20)27/h2-12,26H,1H3,(H,24,25)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
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TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225371(Chk1_126)
Show SMILES COc1ccc(COc2cc3Cc4c(n[nH]c4-c4ccc(Br)cc4)-c3cc2OC)cc1
Show InChI InChI=1S/C25H21BrN2O3/c1-29-19-9-3-15(4-10-19)14-31-23-12-17-11-21-24(16-5-7-18(26)8-6-16)27-28-25(21)20(17)13-22(23)30-2/h3-10,12-13H,11,14H2,1-2H3,(H,27,28)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91893(Chk1_28)
Show SMILES CCCN(CC)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H19BrN6O/c1-3-7-24(4-2)15-6-5-12(18)8-14(15)22-17(25)23-16-11-20-13(9-19)10-21-16/h5-6,8,10-11H,3-4,7H2,1-2H3,(H2,21,22,23,25)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
In DepthDetails PubMed
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91898(Chk1_32)
Show SMILES Clc1ccc(OC2Cc3ccccc3C2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C21H16ClN5O2/c22-15-5-6-19(29-17-7-13-3-1-2-4-14(13)8-17)18(9-15)26-21(28)27-20-12-24-16(10-23)11-25-20/h1-6,9,11-12,17H,7-8H2,(H2,25,26,27,28)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91952(Chk1_84)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ncccc3NC2=O)c1
Show InChI InChI=1S/C19H14N4O4/c1-27-17-10-12(5-7-16(17)23(25)26)11-4-6-13-15(9-11)21-18-14(22-19(13)24)3-2-8-20-18/h2-10H,1H3,(H,20,21)(H,22,24)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91960(Chk1_91)
Show SMILES O=C(Nc1cnc(cn1)C#N)Nc1cnc2ccccc2n1
Show InChI InChI=1S/C14H9N7O/c15-5-9-6-18-12(7-16-9)20-14(22)21-13-8-17-10-3-1-2-4-11(10)19-13/h1-4,6-8H,(H2,18,19,20,21,22)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225339(Chk1_23)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc3cc(ccc3c2)C(O)=O)c1
Show InChI InChI=1S/C29H29N3O2/c1-17-2-9-24(10-3-17)30-16-18-4-11-25-23(12-18)15-26-27(31-32-28(25)26)21-7-5-20-14-22(29(33)34)8-6-19(20)13-21/h4-8,11-14,17,24,30H,2-3,9-10,15-16H2,1H3,(H,31,32)(H,33,34)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91836(Chk1_11)
Show SMILES COc1ccc(cc1NC(=O)Nc1cnc(cn1)C#N)-c1ccccc1
Show InChI InChI=1S/C19H15N5O2/c1-26-17-8-7-14(13-5-3-2-4-6-13)9-16(17)23-19(25)24-18-12-21-15(10-20)11-22-18/h2-9,11-12H,1H3,(H2,22,23,24,25)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM225345(Chk1_51)
Show SMILES ON1CC(Cl)=CC2=C1Nc1ccccc1C(=O)N2
Show InChI InChI=1S/C12H10ClN3O2/c13-7-5-10-11(16(18)6-7)14-9-4-2-1-3-8(9)12(17)15-10/h1-5,14,18H,6H2,(H,15,17)
Affinity DataKi: >1.00E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM50218734(8-chloro-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11...)
Show SMILES Clc1ccc2Nc3ccccc3C(=O)Nc2c1
Show InChI InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)
Affinity DataKi:  1.72E+4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
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