Found 839 hits with Last Name = 'ohkubo' and Initial = 'm' 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 |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50099066
(CHEMBL279115 | phorbol 13-acetate 12-myristate)Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |r,c:33,t:22| Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Advanced Science Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting |
Bioorg Med Chem Lett 21: 3587-90 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50345024
((R)-(4-(dodecyloxy)-1-(hydroxymethyl)-3-oxo-1,3-di...)Show SMILES CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(=O)C(C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C32H52O6/c1-8-9-10-11-12-13-14-15-16-17-21-36-25-20-18-19-24-26(25)28(34)38-32(24,22-33)23-37-29(35)27(30(2,3)4)31(5,6)7/h18-20,27,33H,8-17,21-23H2,1-7H3/t32-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Advanced Science Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting |
Bioorg Med Chem Lett 21: 3587-90 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50345027
(((R)-4-(3-((2R,3R,5S,6S)-4-(dodecyloxy)-2,3,5,6-te...)Show SMILES CCCCCCCCCCCCO[C@H]1[C@@H](OC)[C@H](OC)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OC)[C@H]1OC |r| Show InChI InChI=1S/C45H72O11/c1-12-13-14-15-16-17-18-19-20-21-27-53-38-34(49-8)36(51-10)39(37(52-11)35(38)50-9)54-28-23-25-31-24-22-26-32-33(31)41(47)56-45(32,29-46)30-55-42(48)40(43(2,3)4)44(5,6)7/h22,24,26,34-40,46H,12-21,27-30H2,1-11H3/t34-,35+,36-,37+,38-,39+,45-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Advanced Science Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting |
Bioorg Med Chem Lett 21: 3587-90 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50345026
((1R,2R,4S,5S)-3-(3-((R)-1-((2-tert-butyl-3,3-dimet...)Show SMILES CCCCCCCCCCCCO[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C49H72O15/c1-12-13-14-15-16-17-18-19-20-21-27-57-38-40(60-31(2)51)42(62-33(4)53)39(43(63-34(5)54)41(38)61-32(3)52)58-28-23-25-35-24-22-26-36-37(35)45(55)64-49(36,29-50)30-59-46(56)44(47(6,7)8)48(9,10)11/h22,24,26,38-44,50H,12-21,27-30H2,1-11H3/t38-,39+,40+,41-,42+,43-,49-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Advanced Science Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting |
Bioorg Med Chem Lett 21: 3587-90 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50345025
((R)-(4-(dodecyloxy)-1-(hydroxymethyl)-3-oxo-1,3-di...)Show SMILES CCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(=O)CCCCCCCCCCC |r| Show InChI InChI=1S/C34H56O6/c1-3-5-7-9-11-13-15-17-19-21-26-38-30-24-22-23-29-32(30)33(37)40-34(29,27-35)28-39-31(36)25-20-18-16-14-12-10-8-6-4-2/h22-24,35H,3-21,25-28H2,1-2H3/t34-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Advanced Science Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting |
Bioorg Med Chem Lett 21: 3587-90 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50345028
(((R)-4-(3-((1S,2S,3R,4R,5S,6R)-4-(dodecyloxy)-2,3,...)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-[#6@@H]-1-[#6@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H](-[#8]-[#6]\[#6]=[#6]\[#6](-[#6])-[#6])-[#6@H](-[#8]-[#6]C#Cc2cccc3c2-[#6](=O)-[#8][C@]3([#6]-[#8])[#6]-[#8]-[#6](=O)-[#6](C([#6])([#6])[#6])C([#6])([#6])[#6])-[#6@@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C62H98O11/c1-16-17-18-19-20-21-22-23-24-25-36-66-53-54(69-39-33-45(4)5)51(67-37-27-29-44(2)3)52(55(70-40-34-46(6)7)56(53)71-41-35-47(8)9)68-38-28-31-48-30-26-32-49-50(48)58(64)73-62(49,42-63)43-72-59(65)57(60(10,11)12)61(13,14)15/h26-27,29-30,32-35,44,51-57,63H,16-25,36-43H2,1-15H3/b29-27+/t51-,52-,53+,54+,55+,56+,62+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Advanced Science Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting |
Bioorg Med Chem Lett 21: 3587-90 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50345029
(((R)-1-(hydroxymethyl)-3-oxo-4-(3-((2R,3S,5R,6S)-2...)Show SMILES CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C69H88O11/c1-8-9-10-11-12-13-14-15-16-29-43-73-58-60(75-45-51-32-21-17-22-33-51)62(77-47-53-36-25-19-26-37-53)59(63(78-48-54-38-27-20-28-39-54)61(58)76-46-52-34-23-18-24-35-52)74-44-31-41-55-40-30-42-56-57(55)65(71)80-69(56,49-70)50-79-66(72)64(67(2,3)4)68(5,6)7/h17-28,30,32-40,42,58-64,70H,8-16,29,43-50H2,1-7H3/t58-,59+,60+,61-,62+,63-,69-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Advanced Science Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting |
Bioorg Med Chem Lett 21: 3587-90 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50345030
(((R)-4-(3-((2R,3S,5R,6S)-4-(dodecyloxy)-2,3,5,6-te...)Show SMILES CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccc(cc2)C(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccc(cc2)C(C)C)[C@@H]1OCc1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C81H112O11/c1-16-17-18-19-20-21-22-23-24-25-47-85-70-72(87-49-59-31-39-63(40-32-59)55(2)3)74(89-51-61-35-43-65(44-36-61)57(6)7)71(75(90-52-62-37-45-66(46-38-62)58(8)9)73(70)88-50-60-33-41-64(42-34-60)56(4)5)86-48-27-29-67-28-26-30-68-69(67)77(83)92-81(68,53-82)54-91-78(84)76(79(10,11)12)80(13,14)15/h26,28,30-46,55-58,70-76,82H,16-25,47-54H2,1-15H3/t70-,71+,72+,73-,74+,75-,81-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Advanced Science Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting |
Bioorg Med Chem Lett 21: 3587-90 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50345031
(((R)-4-(3-((2R,3S,5R,6S)-4-(dodecyloxy)-2,3,5,6-te...)Show SMILES CCCCCCCCCCCCO[C@@H]1[C@H](OCc2ccc(F)cc2)[C@@H](OCc2ccc(F)cc2)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OCc2ccc(F)cc2)[C@@H]1OCc1ccc(F)cc1 |r| Show InChI InChI=1S/C69H84F4O11/c1-8-9-10-11-12-13-14-15-16-17-39-77-58-60(79-41-47-23-31-52(70)32-24-47)62(81-43-49-27-35-54(72)36-28-49)59(63(82-44-50-29-37-55(73)38-30-50)61(58)80-42-48-25-33-53(71)34-26-48)78-40-19-21-51-20-18-22-56-57(51)65(75)84-69(56,45-74)46-83-66(76)64(67(2,3)4)68(5,6)7/h18,20,22-38,58-64,74H,8-17,39-46H2,1-7H3/t58-,59+,60+,61-,62+,63-,69-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Advanced Science Institute
Curated by ChEMBL
| Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting |
Bioorg Med Chem Lett 21: 3587-90 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606383
(CHEMBL5209489)Show SMILES CSCC[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606385
(CHEMBL5203315)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606395
(CHEMBL5207094)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606386
(CHEMBL5182207)Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606384
(CHEMBL5183245)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606380
(CHEMBL5191373)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606390
(CHEMBL5185612)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0680 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606381
(CHEMBL5198135)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606377
(CHEMBL5186594)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0830 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606378
(CHEMBL5170274)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606388
(CHEMBL5203492)Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606382
(CHEMBL5191820)Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606392
(CHEMBL5178802)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606379
(CHEMBL5180149)Show SMILES CSCC[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.128 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606396
(CHEMBL5206743)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606387
(CHEMBL5206852)Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606393
(CHEMBL5190160)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606391
(CHEMBL5207603)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606397
(CHEMBL5169565)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126609
(US8772283, 53)Show SMILES CC1(O)CC(N)(C1)c1ccc(cc1)-c1nc2-c3cc(ccc3OCn2c1-c1ccccc1)C(N)=O Show InChI InChI=1S/C28H26N4O3/c1-27(34)14-28(30,15-27)20-10-7-17(8-11-20)23-24(18-5-3-2-4-6-18)32-16-35-22-12-9-19(25(29)33)13-21(22)26(32)31-23/h2-13,34H,14-16,30H2,1H3,(H2,29,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126581
(US8772283, 25)Show SMILES COc1cc(OC)c2-c3nc(c(-c4ccccc4)n3COc2c1)-c1ccc(cc1)C1(N)CC(O)(C1)C1CC1 |(-8.4,-.89,;-7.63,.45,;-6.09,.45,;-5.32,1.78,;-3.78,1.78,;-2.69,2.87,;-3.09,4.36,;-3.01,.45,;-1.47,.45,;-.5,1.64,;.93,1.09,;.85,-.45,;2.06,-1.41,;1.66,-2.89,;2.75,-3.98,;4.23,-3.58,;4.63,-2.1,;3.54,-1.01,;-.7,-.89,;-1.47,-2.22,;-3.01,-2.22,;-3.78,-.89,;-5.32,-.89,;2.23,1.93,;2.23,3.47,;3.56,4.24,;4.89,3.47,;4.89,1.93,;3.56,1.16,;6.23,4.24,;7.56,3.47,;5.14,5.33,;6.31,6.43,;6.36,7.97,;7.32,5.33,;4.9,7.07,;3.57,6.3,;4.13,8.4,)| Show InChI InChI=1S/C31H31N3O4/c1-36-23-14-24(37-2)26-25(15-23)38-18-34-28(20-6-4-3-5-7-20)27(33-29(26)34)19-8-10-21(11-9-19)30(32)16-31(35,17-30)22-12-13-22/h3-11,14-15,22,35H,12-13,16-18,32H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126608
(US8772283, 52)Show SMILES CNC(=O)c1ccc2OCn3c(nc(c3-c3ccccc3)-c3ccc(cc3)C3(N)CC(C)(O)C3)-c2c1 Show InChI InChI=1S/C29H28N4O3/c1-28(35)15-29(30,16-28)21-11-8-18(9-12-21)24-25(19-6-4-3-5-7-19)33-17-36-23-13-10-20(27(34)31-2)14-22(23)26(33)32-24/h3-14,35H,15-17,30H2,1-2H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126557
(US8772283, 1)Show SMILES NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3c(F)cccc3OCn2c1-c1ccccc1 |(7.56,3.47,;6.23,4.24,;5.14,5.33,;6.31,6.43,;6.36,7.97,;7.32,5.33,;4.9,7.07,;3.57,6.3,;4.13,8.4,;4.89,3.47,;3.56,4.24,;2.23,3.47,;2.23,1.93,;3.56,1.16,;4.89,1.93,;.93,1.09,;-.5,1.64,;-1.47,.45,;-3.01,.45,;-3.78,1.78,;-2.69,2.87,;-5.32,1.78,;-6.09,.45,;-5.32,-.89,;-3.78,-.89,;-3.01,-2.22,;-1.47,-2.22,;-.7,-.89,;.85,-.45,;2.06,-1.41,;1.66,-2.89,;2.75,-3.98,;4.23,-3.58,;4.63,-2.1,;3.54,-1.01,)| Show InChI InChI=1S/C29H26FN3O2/c30-22-7-4-8-23-24(22)27-32-25(26(33(27)17-35-23)19-5-2-1-3-6-19)18-9-11-20(12-10-18)28(31)15-29(34,16-28)21-13-14-21/h1-12,21,34H,13-17,31H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126578
(US8772283, 22)Show SMILES NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3c(Cl)cccc3OCn2c1-c1ccccc1 |(7.56,3.47,;6.23,4.24,;5.14,5.33,;6.31,6.43,;6.36,7.97,;7.32,5.33,;4.9,7.07,;3.57,6.3,;4.13,8.4,;4.89,3.47,;3.56,4.24,;2.23,3.47,;2.23,1.93,;3.56,1.16,;4.89,1.93,;.93,1.09,;-.5,1.64,;-1.47,.45,;-3.01,.45,;-3.78,1.78,;-2.69,2.87,;-5.32,1.78,;-6.09,.45,;-5.32,-.89,;-3.78,-.89,;-3.01,-2.22,;-1.47,-2.22,;-.7,-.89,;.85,-.45,;2.06,-1.41,;1.66,-2.89,;2.75,-3.98,;4.23,-3.58,;4.63,-2.1,;3.54,-1.01,)| Show InChI InChI=1S/C29H26ClN3O2/c30-22-7-4-8-23-24(22)27-32-25(26(33(27)17-35-23)19-5-2-1-3-6-19)18-9-11-20(12-10-18)28(31)15-29(34,16-28)21-13-14-21/h1-12,21,34H,13-17,31H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126611
(US8772283, 55)Show SMILES CCNC(=O)c1ccc2OCn3c(nc(c3-c3ccccc3)-c3ccc(cc3)C3(N)CC(C)(O)C3)-c2c1 Show InChI InChI=1S/C30H30N4O3/c1-3-32-28(35)21-11-14-24-23(15-21)27-33-25(26(34(27)18-37-24)20-7-5-4-6-8-20)19-9-12-22(13-10-19)30(31)16-29(2,36)17-30/h4-15,36H,3,16-18,31H2,1-2H3,(H,32,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126604
(US8772283, 48)Show SMILES CC1(O)CC(N)(C1)c1ccc(cc1)-c1nc2-c3cc(ccc3OCn2c1-c1ccccc1)-c1ccn[nH]1 Show InChI InChI=1S/C30H27N5O2/c1-29(36)16-30(31,17-29)22-10-7-19(8-11-22)26-27(20-5-3-2-4-6-20)35-18-37-25-12-9-21(24-13-14-32-34-24)15-23(25)28(35)33-26/h2-15,36H,16-18,31H2,1H3,(H,32,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126572
(US8772283, 16)Show SMILES COc1cccc2OCn3c(nc(c3-c3ccccc3)-c3ccc(cc3)C3(N)CC(O)(C3)C3CC3)-c12 |(-3.09,4.36,;-2.69,2.87,;-3.78,1.78,;-5.32,1.78,;-6.09,.45,;-5.32,-.89,;-3.78,-.89,;-3.01,-2.22,;-1.47,-2.22,;-.7,-.89,;-1.47,.45,;-.5,1.64,;.93,1.09,;.85,-.45,;2.06,-1.41,;1.66,-2.89,;2.75,-3.98,;4.23,-3.58,;4.63,-2.1,;3.54,-1.01,;2.23,1.93,;2.23,3.47,;3.56,4.24,;4.89,3.47,;4.89,1.93,;3.56,1.16,;6.23,4.24,;7.56,3.47,;5.14,5.33,;6.31,6.43,;6.36,7.97,;7.32,5.33,;4.9,7.07,;3.57,6.3,;4.13,8.4,;-3.01,.45,)| Show InChI InChI=1S/C30H29N3O3/c1-35-23-8-5-9-24-25(23)28-32-26(27(33(28)18-36-24)20-6-3-2-4-7-20)19-10-12-21(13-11-19)29(31)16-30(34,17-29)22-14-15-22/h2-13,22,34H,14-18,31H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126618
(US8772283, 62)Show SMILES CC1(O)CC(N)(C1)c1ccc(cc1)-c1nc2-c3ccc(cc3OCn2c1-c1ccccc1)C(N)=O Show InChI InChI=1S/C28H26N4O3/c1-27(34)14-28(30,15-27)20-10-7-17(8-11-20)23-24(18-5-3-2-4-6-18)32-16-35-22-13-19(25(29)33)9-12-21(22)26(32)31-23/h2-13,34H,14-16,30H2,1H3,(H2,29,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126617
(US8772283, 61)Show SMILES CCONC(=O)c1ccc2OCn3c(nc(c3-c3ccccc3)-c3ccc(cc3)C3(N)CC(C)(O)C3)-c2c1 Show InChI InChI=1S/C30H30N4O4/c1-3-38-33-28(35)21-11-14-24-23(15-21)27-32-25(26(34(27)18-37-24)20-7-5-4-6-8-20)19-9-12-22(13-10-19)30(31)16-29(2,36)17-30/h4-15,36H,3,16-18,31H2,1-2H3,(H,33,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126605
(US8772283, 49)Show SMILES CC1(O)CC(N)(C1)c1ccc(cc1)-c1nc2-c3cc(ccc3OCn2c1-c1ccccc1)-c1cn[nH]c1 Show InChI InChI=1S/C30H27N5O2/c1-29(36)16-30(31,17-29)23-10-7-19(8-11-23)26-27(20-5-3-2-4-6-20)35-18-37-25-12-9-21(22-14-32-33-15-22)13-24(25)28(35)34-26/h2-15,36H,16-18,31H2,1H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126591
(US8772283, 35)Show SMILES NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3ccncc3OCn2c1-c1ccccc1 |(7.56,3.47,;6.23,4.24,;5.14,5.33,;6.31,6.43,;6.36,7.97,;7.32,5.33,;4.9,7.07,;3.57,6.3,;4.13,8.4,;4.89,3.47,;3.56,4.24,;2.23,3.47,;2.23,1.93,;3.56,1.16,;4.89,1.93,;.93,1.09,;-.5,1.64,;-1.47,.45,;-3.01,.45,;-3.78,1.78,;-5.32,1.78,;-6.09,.45,;-5.32,-.89,;-3.78,-.89,;-3.01,-2.22,;-1.47,-2.22,;-.7,-.89,;.85,-.45,;2.06,-1.41,;1.66,-2.89,;2.75,-3.98,;4.23,-3.58,;4.63,-2.1,;3.54,-1.01,)| Show InChI InChI=1S/C28H26N4O2/c29-27(15-28(33,16-27)21-10-11-21)20-8-6-18(7-9-20)24-25(19-4-2-1-3-5-19)32-17-34-23-14-30-13-12-22(23)26(32)31-24/h1-9,12-14,21,33H,10-11,15-17,29H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126612
(US8772283, 56)Show SMILES CNC(=O)c1ccc2-c3nc(c(-c4ccccc4)n3COc2c1)-c1ccc(cc1)C1(N)CC(C)(O)C1 Show InChI InChI=1S/C29H28N4O3/c1-28(35)15-29(30,16-28)21-11-8-18(9-12-21)24-25(19-6-4-3-5-7-19)33-17-36-23-14-20(27(34)31-2)10-13-22(23)26(33)32-24/h3-14,35H,15-17,30H2,1-2H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606376
(CHEMBL5202634)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126558
(US8772283, 2)Show SMILES CC1(O)CC(N)(C1)c1ccc(cc1)-c1nc2-c3c(F)cccc3OCn2c1-c1ccccc1 Show InChI InChI=1S/C27H24FN3O2/c1-26(32)14-27(29,15-26)19-12-10-17(11-13-19)23-24(18-6-3-2-4-7-18)31-16-33-21-9-5-8-20(28)22(21)25(31)30-23/h2-13,32H,14-16,29H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126615
(US8772283, 59)Show SMILES CCONC(=O)c1ccc2-c3nc(c(-c4ccccc4)n3COc2c1)-c1ccc(cc1)C1(N)CC(C)(O)C1 Show InChI InChI=1S/C30H30N4O4/c1-3-38-33-28(35)21-11-14-23-24(15-21)37-18-34-26(20-7-5-4-6-8-20)25(32-27(23)34)19-9-12-22(13-10-19)30(31)16-29(2,36)17-30/h4-15,36H,3,16-18,31H2,1-2H3,(H,33,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50606394
(CHEMBL5177058)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM126600
(US8772283, 44)Show SMILES CC1(O)CC(N)(C1)c1ccc(cc1)-c1nc2-c3cc(CO)ccc3OCn2c1-c1ccccc1 Show InChI InChI=1S/C28H27N3O3/c1-27(33)15-28(29,16-27)21-10-8-19(9-11-21)24-25(20-5-3-2-4-6-20)31-17-34-23-12-7-18(14-32)13-22(23)26(31)30-24/h2-13,32-33H,14-17,29H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Taiho Pharmaceutical Co., Ltd.
US Patent
| Assay Description Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w... |
US Patent US8772283 (2014)
BindingDB Entry DOI: 10.7270/Q21J98F0 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00613 BindingDB Entry DOI: 10.7270/Q2KD231G |
More data for this Ligand-Target Pair | |