Found 140 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7954 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225375
(Chk1_144)Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(nc3)-c3ccc(O)cc3)-c2cc1OC Show InChI InChI=1S/C23H19N3O3/c1-28-20-10-15-9-18-22(25-26-23(18)17(15)11-21(20)29-2)14-5-8-19(24-12-14)13-3-6-16(27)7-4-13/h3-8,10-12,27H,9H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 0.299 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225376
(Chk1_145)Show InChI InChI=1S/C18H14N4O2/c1-23-15-6-11-5-14-17(10-3-4-12(8-19)20-9-10)21-22-18(14)13(11)7-16(15)24-2/h3-4,6-7,9H,5H2,1-2H3,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91906
(Chk1_40)Show SMILES OC1CCCN(C1)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C17H17BrN6O2/c18-11-3-4-15(24-5-1-2-13(25)10-24)14(6-11)22-17(26)23-16-9-20-12(7-19)8-21-16/h3-4,6,8-9,13,25H,1-2,5,10H2,(H2,21,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB D3R
| 1.36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225366
(Chk1_115)Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2cc1OC Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM14826
(1-[5-chloro-2-(tetrahydrofuran-3-yloxy)phenyl]-3-(...)Show InChI InChI=1S/C16H14ClN5O3/c17-10-1-2-14(25-12-3-4-24-9-12)13(5-10)21-16(23)22-15-8-19-11(6-18)7-20-15/h1-2,5,7-8,12H,3-4,9H2,(H2,20,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 2.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM14605
(1-(4-amino-5-chloro-2-methoxyphenyl)-3-(5-cyanopyr...)Show InChI InChI=1S/C13H11ClN6O2/c1-22-11-3-9(16)8(14)2-10(11)19-13(21)20-12-6-17-7(4-15)5-18-12/h2-3,5-6H,16H2,1H3,(H2,18,19,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 3.93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225362
(Chk1_104)Show SMILES OC1CCC(CC1)NC(=O)c1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)-c2ccc(O)cc2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-2.11,2.94,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;9.8,4.08,;8.88,2.85,;10.14,6.73,;9.54,8.14,;10.47,9.37,;12,9.18,;12.92,10.41,;12.59,7.76,;11.66,6.53,;.89,2.24,)| Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 4.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225360
(Chk1_101)Show SMILES OCc1ccc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1 Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB D3R
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91914
(Chk1_48)Show SMILES OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C17H16ClN5O4/c18-9-1-2-15(27-11-4-13(24)14(25)5-11)12(3-9)22-17(26)23-16-8-20-10(6-19)7-21-16/h1-3,7-8,11,13-14,24-25H,4-5H2,(H2,21,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 4.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91859
(Chk1_136)Show SMILES COc1cc2NC(=O)c3ccc(cc3Nc2cc1OCc1ccncc1)-c1ccc(c(OC)c1)[N+]([O-])=O Show InChI InChI=1S/C27H22N4O6/c1-35-24-12-18(4-6-23(24)31(33)34)17-3-5-19-20(11-17)29-21-14-26(37-15-16-7-9-28-10-8-16)25(36-2)13-22(21)30-27(19)32/h3-14,29H,15H2,1-2H3,(H,30,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 5.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM50221589
(4-((6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-...)Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)c(OC)c3)-c2cc1OC Show InChI InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB D3R
| 5.22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91866
(Chk1_143)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3cc(CC(=O)NCc4cccs4)ccc3NC2=O)c1 Show InChI InChI=1S/C27H22N4O5S/c1-36-25-14-18(6-9-24(25)31(34)35)17-5-7-20-22(13-17)29-23-11-16(4-8-21(23)30-27(20)33)12-26(32)28-15-19-3-2-10-37-19/h2-11,13-14,29H,12,15H2,1H3,(H,28,32)(H,30,33) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 5.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91847
(Chk1_122)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1 Show InChI InChI=1S/C34H33N5O6/c1-34(2,33(41)35-24-7-9-25(10-8-24)38-14-16-45-17-15-38)23-6-12-27-29(20-23)37-32(40)26-11-4-21(18-28(26)36-27)22-5-13-30(39(42)43)31(19-22)44-3/h4-13,18-20,36H,14-17H2,1-3H3,(H,35,41)(H,37,40) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 5.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225373
(Chk1_130)Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2cc1O Show InChI InChI=1S/C23H18N2O3/c1-28-21-11-16-10-19-22(24-25-23(19)18(16)12-20(21)27)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14/h2-9,11-12,26-27H,10H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 5.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91837
(Chk1_110)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)c4cn[nH]c4)cc3NC2=O)c1 Show InChI InChI=1S/C24H18N6O5/c1-35-22-9-14(3-7-21(22)30(33)34)13-2-5-17-19(8-13)28-18-6-4-16(10-20(18)29-24(17)32)27-23(31)15-11-25-26-12-15/h2-12,28H,1H3,(H,25,26)(H,27,31)(H,29,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 5.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91845
(Chk1_120)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N4CCOCC4)cc3NC2=O)c1 Show InChI InChI=1S/C26H24N4O6/c1-35-24-15-18(4-7-23(24)30(33)34)17-3-5-19-21(14-17)27-20-6-2-16(12-22(20)28-26(19)32)13-25(31)29-8-10-36-11-9-29/h2-7,12,14-15,27H,8-11,13H2,1H3,(H,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 5.76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91948
(Chk1_80)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N(C)C)cc3NC2=O)c1 Show InChI InChI=1S/C24H22N4O5/c1-27(2)23(29)11-14-4-8-18-20(10-14)26-24(30)17-7-5-15(12-19(17)25-18)16-6-9-21(28(31)32)22(13-16)33-3/h4-10,12-13,25H,11H2,1-3H3,(H,26,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB D3R
| 5.79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225359
(Chk1_95)Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(O)ccc-21 Show InChI InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB D3R
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91826
(Chk1_100)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(N)=O)cc3NC2=O)c1 Show InChI InChI=1S/C21H17N5O5/c1-31-19-9-12(3-7-18(19)26(29)30)11-2-5-14-16(8-11)24-15-6-4-13(23-21(22)28)10-17(15)25-20(14)27/h2-10,24H,1H3,(H,25,27)(H3,22,23,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 6.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91915
(Chk1_49)Show SMILES OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C17H16ClN5O3/c18-10-1-4-15(26-13-3-2-12(24)6-13)14(5-10)22-17(25)23-16-9-20-11(7-19)8-21-16/h1,4-5,8-9,12-13,24H,2-3,6H2,(H2,21,22,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 6.67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91838
(Chk1_111)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)CCS(=O)(=O)c4ccccc4)cc3NC2=O)c1 Show InChI InChI=1S/C29H24N4O7S/c1-40-27-16-19(8-12-26(27)33(36)37)18-7-10-22-24(15-18)31-23-11-9-20(17-25(23)32-29(22)35)30-28(34)13-14-41(38,39)21-5-3-2-4-6-21/h2-12,15-17,31H,13-14H2,1H3,(H,30,34)(H,32,35) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 7.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91966
(Chk1_97)Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 7.79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225366
(Chk1_115)Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2cc1OC Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 7.97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91851
(Chk1_127)Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C21H17N3O4/c1-28-20(26)9-12-2-5-16-18(8-12)24-21(27)15-4-3-13(10-17(15)23-16)14-6-7-22-19(25)11-14/h2-8,10-11,23H,9H2,1H3,(H,22,25)(H,24,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 8.64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225364
(Chk1_109)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)c4cc[nH]n4)cc3NC2=O)c1 Show InChI InChI=1S/C24H18N6O5/c1-35-22-11-14(3-7-21(22)30(33)34)13-2-5-16-19(10-13)27-17-6-4-15(12-20(17)28-23(16)31)26-24(32)18-8-9-25-29-18/h2-12,27H,1H3,(H,25,29)(H,26,32)(H,28,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 9.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91953
(Chk1_85)Show SMILES OC1CCCC(Oc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)C1O Show InChI InChI=1S/C18H18ClN5O4/c19-10-4-5-14(28-15-3-1-2-13(25)17(15)26)12(6-10)23-18(27)24-16-9-21-11(7-20)8-22-16/h4-6,8-9,13,15,17,25-26H,1-3H2,(H2,22,23,24,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 10.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91928
(Chk1_60)Show SMILES CN(C)CCN(C)c1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C17H20ClN7O/c1-24(2)6-7-25(3)15-5-4-12(18)8-14(15)22-17(26)23-16-11-20-13(9-19)10-21-16/h4-5,8,10-11H,6-7H2,1-3H3,(H2,21,22,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91904
(Chk1_38)Show InChI InChI=1S/C17H17BrN6O/c18-12-4-5-15(24-6-2-1-3-7-24)14(8-12)22-17(25)23-16-11-20-13(9-19)10-21-16/h4-5,8,10-11H,1-3,6-7H2,(H2,21,22,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91849
(Chk1_125)Show SMILES COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1 Show InChI InChI=1S/C21H18N4O3/c1-28-20(26)11-13-2-5-17-19(10-13)25-21(27)16-4-3-15(12-18(16)24-17)23-14-6-8-22-9-7-14/h2-10,12,24H,11H2,1H3,(H,22,23)(H,25,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB D3R
| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225370
(Chk1_123)Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3nn[nH]n3)-c2cc1OC Show InChI InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91892
(Chk1_27)Show SMILES Clc1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(NC(=O)Nc2cnc(cn2)C#N)c1 Show InChI InChI=1S/C23H17ClN6O4/c24-14-6-7-19(18(10-14)28-23(33)29-20-13-26-15(11-25)12-27-20)34-9-3-8-30-21(31)16-4-1-2-5-17(16)22(30)32/h1-2,4-7,10,12-13H,3,8-9H2,(H2,27,28,29,33) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91840
(Chk1_113)Show SMILES COc1cc(ccc1Cl)-c1ccc2c(Nc3ccc(CC(=O)N4CCCC(O)C4)cc3NC2=O)c1 Show InChI InChI=1S/C27H26ClN3O4/c1-35-25-14-18(6-8-21(25)28)17-5-7-20-23(13-17)29-22-9-4-16(11-24(22)30-27(20)34)12-26(33)31-10-2-3-19(32)15-31/h4-9,11,13-14,19,29,32H,2-3,10,12,15H2,1H3,(H,30,34) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 14.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91938
(Chk1_7)Show InChI InChI=1S/C14H13ClN4O3/c1-22-11-4-3-9(15)6-10(11)18-14(21)19-12-5-2-8(7-17-12)13(16)20/h2-7H,1H3,(H2,16,20)(H2,17,18,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 15.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91968
(Chk1_99)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(N)cc3NC2=O)c1 Show InChI InChI=1S/C20H16N4O4/c1-28-19-9-12(3-7-18(19)24(26)27)11-2-5-14-16(8-11)22-15-6-4-13(21)10-17(15)23-20(14)25/h2-10,22H,21H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 16.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225369
(Chk1_118)Show SMILES COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(ccc-21)C(=O)NC1CCC(O)CC1 |(-6.97,-13.41,;-6.04,-12.19,;-6.64,-10.77,;-5.71,-9.54,;-6.31,-8.12,;-7.84,-7.93,;-8.77,-9.16,;-8.17,-10.58,;-9.1,-11.8,;-5.38,-6.89,;-5.98,-5.47,;-5.05,-4.25,;-3.52,-4.44,;-2.92,-5.86,;-3.85,-7.08,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;3.55,-1.04,;2.05,-.69,;.99,-1.82,;5.49,-2.86,;5.94,-4.34,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,)| Show InChI InChI=1S/C30H29N3O4/c1-37-27-16-19(7-13-26(27)35)17-2-4-18(5-3-17)28-25-15-21-14-20(6-12-24(21)29(25)33-32-28)30(36)31-22-8-10-23(34)11-9-22/h2-7,12-14,16,22-23,34-35H,8-11,15H2,1H3,(H,31,36)(H,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 18.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225338
(Chk1_20)Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)C(O)=O)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;9.8,4.08,;8.88,2.85,;10.14,6.73,;9.54,8.14,;11.66,6.53,;.89,2.24,)| Show InChI InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91941
(Chk1_72)Show InChI InChI=1S/C15H10N6O/c16-6-12-8-19-14(9-17-12)21-15(22)20-13-5-10-3-1-2-4-11(10)7-18-13/h1-5,7-9H,(H2,18,19,20,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| PDB D3R
| 20.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225374
(Chk1_135)Show SMILES CCc1ccc(CCOc2cc3Cc4c(n[nH]c4-c4ccc(cc4)-c4ccc(O)cc4)-c3cc2OC)nc1 Show InChI InChI=1S/C32H29N3O3/c1-3-20-4-11-25(33-19-20)14-15-38-30-17-24-16-28-31(34-35-32(28)27(24)18-29(30)37-2)23-7-5-21(6-8-23)22-9-12-26(36)13-10-22/h4-13,17-19,36H,3,14-16H2,1-2H3,(H,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 23.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225356
(Chk1_90)Show InChI InChI=1S/C15H11N7O/c16-7-11-8-18-14(9-17-11)20-15(23)19-13-6-12(21-22-13)10-4-2-1-3-5-10/h1-6,8-9H,(H3,18,19,20,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB D3R
| 23.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225333
(Chk1_4)Show InChI InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB D3R
| 23.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225365
(Chk1_114)Show SMILES CNC(=O)c1ccc2Cc3c(n[nH]c3-c3ccc(cc3)C(O)=O)-c2c1 Show InChI InChI=1S/C19H15N3O3/c1-20-18(23)13-7-6-12-8-15-16(21-22-17(15)14(12)9-13)10-2-4-11(5-3-10)19(24)25/h2-7,9H,8H2,1H3,(H,20,23)(H,21,22)(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 23.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91844
(Chk1_119)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(OCCN4CCOCC4)cc3NC2=O)c1 Show InChI InChI=1S/C26H26N4O6/c1-34-25-15-18(3-7-24(25)30(32)33)17-2-5-20-22(14-17)27-21-6-4-19(16-23(21)28-26(20)31)36-13-10-29-8-11-35-12-9-29/h2-7,14-16,27H,8-13H2,1H3,(H,28,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 24.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91955
(Chk1_87)Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)NC(CO)c4ccccc4)cc3NC2=O)c1 Show InChI InChI=1S/C30H26N4O6/c1-40-28-16-21(9-12-27(28)34(38)39)20-8-10-22-24(15-20)31-23-11-7-18(13-25(23)33-30(22)37)14-29(36)32-26(17-35)19-5-3-2-4-6-19/h2-13,15-16,26,31,35H,14,17H2,1H3,(H,32,36)(H,33,37) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 26.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91883
(Chk1_19)Show InChI InChI=1S/C16H15ClN6O2/c17-10-1-2-14(25-12-3-4-19-8-12)13(5-10)22-16(24)23-15-9-20-11(6-18)7-21-15/h1-2,5,7,9,12,19H,3-4,8H2,(H2,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB D3R
| 27.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91956
(Chk1_88)Show InChI InChI=1S/C16H11N5O2/c17-7-12-8-19-15(9-18-12)21-16(23)20-11-4-5-13-10(6-11)2-1-3-14(13)22/h1-6,8-9,22H,(H2,19,20,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91911
(Chk1_45)Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2CO)c1 Show InChI InChI=1S/C26H25N3O5/c1-34-24-13-16(6-9-23(24)31)15-4-7-19-21(11-15)27-20-8-5-17(12-22(20)28-25(19)32)26(33)29-10-2-3-18(29)14-30/h4-9,11-13,18,27,30-31H,2-3,10,14H2,1H3,(H,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 37.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91957
(Chk1_89)Show InChI InChI=1S/C17H11N5O3/c18-7-14-8-20-15(9-19-14)22-17(25)21-13-4-3-10-5-12(16(23)24)2-1-11(10)6-13/h1-6,8-9H,(H,23,24)(H2,20,21,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| PDB D3R
| 40.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91842
(Chk1_117)Show SMILES COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1ccc(c(OC)c1)[N+]([O-])=O Show InChI InChI=1S/C24H21N3O6/c1-13-8-17-19(12-16(13)15-5-7-21(27(30)31)22(11-15)32-2)25-18-6-4-14(10-23(28)33-3)9-20(18)26-24(17)29/h4-9,11-12,25H,10H2,1-3H3,(H,26,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 49.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM225354
(Chk1_74)Show SMILES ONC(=O)c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21 |(-6.64,-10.77,;-5.71,-9.54,;-6.31,-8.12,;-7.84,-7.93,;-5.38,-6.89,;-5.98,-5.47,;-5.05,-4.25,;-3.52,-4.44,;-2.92,-5.86,;-3.85,-7.08,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;5.49,-2.86,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,;3.55,-1.04,;2.05,-.69,;.99,-1.82,)| Show InChI InChI=1S/C24H26N4O3/c29-19-8-6-18(7-9-19)25-13-14-1-10-20-17(11-14)12-21-22(26-27-23(20)21)15-2-4-16(5-3-15)24(30)28-31/h1-5,10-11,18-19,25,29,31H,6-9,12-13H2,(H,26,27)(H,28,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| D3R
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1 [2-280]
(Homo sapiens (Human)) | BDBM91831
(Chk1_105)Show SMILES COc1cc(NC(=O)CCCCCCC(O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C21H23ClN6O5/c1-33-17-9-15(26-19(29)6-4-2-3-5-7-20(30)31)14(22)8-16(17)27-21(32)28-18-12-24-13(10-23)11-25-18/h8-9,11-12H,2-7H2,1H3,(H,26,29)(H,30,31)(H2,25,27,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| D3R
| 57.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description 33P-Radiometric_Method1 |
D3R 221: (2015)
BindingDB Entry DOI: 10.7270/Q2WS8S4Z |
More data for this Ligand-Target Pair | |