Found 582 hits with Last Name = 'alam' and Initial = 'a' 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 |
|---|
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385312
(CHEMBL2035984)Show SMILES Fc1cc(cc(F)c1Cl)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C30H27ClF2N6O3/c31-25-20(32)9-16(10-21(25)33)23-14-36-30(5-1-2-6-30)28(42)39(23)15-24(40)37-18-8-17-11-29(12-22(17)35-13-18)19-4-3-7-34-26(19)38-27(29)41/h3-4,7-10,13,23,36H,1-2,5-6,11-12,14-15H2,(H,37,40)(H,34,38,41)/t23-,29-/m0/s1 | PDB
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| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50184069
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | PDB
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| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385311
(CHEMBL2035985)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)c(Cl)c(F)c1 |r| Show InChI InChI=1S/C31H29ClF2N6O3/c1-29(18-10-21(33)25(32)22(34)11-18)16-37-31(6-2-3-7-31)28(43)40(29)15-24(41)38-19-9-17-12-30(13-23(17)36-14-19)20-5-4-8-35-26(20)39-27(30)42/h4-5,8-11,14,37H,2-3,6-7,12-13,15-16H2,1H3,(H,38,41)(H,35,39,42)/t29-,30-/m0/s1 | PDB
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| 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50356282
(CHEMBL1910936)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1 | PDB
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| 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385313
(CHEMBL2035982)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C30H28F2N6O3/c31-19-8-17(9-20(32)11-19)24-15-35-30(5-1-2-6-30)28(41)38(24)16-25(39)36-21-10-18-12-29(13-23(18)34-14-21)22-4-3-7-33-26(22)37-27(29)40/h3-4,7-11,14,24,35H,1-2,5-6,12-13,15-16H2,(H,36,39)(H,33,37,40)/t24-,29-/m0/s1 | PDB
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| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385314
(CHEMBL2035981)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H31F2N5O3/c1-30(21-12-22(33)14-23(34)13-21)18-36-32(8-2-3-9-32)29(42)39(30)17-26(40)37-24-7-6-19-15-31(16-20(19)11-24)25-5-4-10-35-27(25)38-28(31)41/h4-7,10-14,36H,2-3,8-9,15-18H2,1H3,(H,37,40)(H,35,38,41)/t30-,31+/m0/s1 | PDB
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| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385310
(CHEMBL2035986)Show SMILES CC[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H32F2N6O3/c1-2-32(20-11-21(33)13-22(34)12-20)18-37-31(7-3-4-8-31)29(43)40(32)17-26(41)38-23-10-19-14-30(15-25(19)36-16-23)24-6-5-9-35-27(24)39-28(30)42/h5-6,9-13,16,37H,2-4,7-8,14-15,17-18H2,1H3,(H,38,41)(H,35,39,42)/t30-,32-/m0/s1 | PDB
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]amylin from human AMY1 receptor expressed in COS7 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Rattus norvegicus) | BDBM50184069
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | PDB
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Article
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in rat spleen homogenate after 180 mins by gamma counting |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Calcitonin gene-related peptide type 1 receptor
(Rattus norvegicus) | BDBM50385314
(CHEMBL2035981)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H31F2N5O3/c1-30(21-12-22(33)14-23(34)13-21)18-36-32(8-2-3-9-32)29(42)39(30)17-26(40)37-24-7-6-19-15-31(16-20(19)11-24)25-5-4-10-35-27(25)38-28(31)41/h4-7,10-14,36H,2-3,8-9,15-18H2,1H3,(H,37,40)(H,35,38,41)/t30-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in rat brain membrane after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Rattus norvegicus) | BDBM50356282
(CHEMBL1910936)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in rat brain membrane after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Rattus norvegicus) | BDBM50385311
(CHEMBL2035985)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)c(Cl)c(F)c1 |r| Show InChI InChI=1S/C31H29ClF2N6O3/c1-29(18-10-21(33)25(32)22(34)11-18)16-37-31(6-2-3-7-31)28(43)40(29)15-24(41)38-19-9-17-12-30(13-23(17)36-14-19)20-5-4-8-35-26(20)39-27(30)42/h4-5,8-11,14,37H,2-3,6-7,12-13,15-16H2,1H3,(H,38,41)(H,35,39,42)/t29-,30-/m0/s1 | PDB
MMDB
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in rat brain membrane after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Rattus norvegicus) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in rat brain membrane after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Rattus norvegicus) | BDBM50385312
(CHEMBL2035984)Show SMILES Fc1cc(cc(F)c1Cl)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C30H27ClF2N6O3/c31-25-20(32)9-16(10-21(25)33)23-14-36-30(5-1-2-6-30)28(42)39(23)15-24(40)37-18-8-17-11-29(12-22(17)35-13-18)19-4-3-7-34-26(19)38-27(29)41/h3-4,7-10,13,23,36H,1-2,5-6,11-12,14-15H2,(H,37,40)(H,34,38,41)/t23-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PC sid
UniChem
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PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in rat brain membrane after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Mus musculus) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
MMDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from mouse CGRP receptor |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Rattus norvegicus) | BDBM50385313
(CHEMBL2035982)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C30H28F2N6O3/c31-19-8-17(9-20(32)11-19)24-15-35-30(5-1-2-6-30)28(41)38(24)16-25(39)36-21-10-18-12-29(13-23(18)34-14-21)22-4-3-7-33-26(22)37-27(29)40/h3-4,7-11,14,24,35H,1-2,5-6,12-13,15-16H2,(H,36,39)(H,33,37,40)/t24-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in rat brain membrane after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Rattus norvegicus) | BDBM50385310
(CHEMBL2035986)Show SMILES CC[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H32F2N6O3/c1-2-32(20-11-21(33)13-22(34)12-20)18-37-31(7-3-4-8-31)29(43)40(32)17-26(41)38-23-10-19-14-30(15-25(19)36-16-23)24-6-5-9-35-27(24)39-28(30)42/h5-6,9-13,16,37H,2-4,7-8,14-15,17-18H2,1H3,(H,38,41)(H,35,39,42)/t30-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]CGRP from CGRP receptor in rat brain membrane after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 3
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin from human AM2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)/Receptor activity-modifying protein 3
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]amylin from human AMY3 receptor expressed in COS7 cells after 3 hrs |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Isoform 1 of Calcitonin receptor (1)
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]calcitonin from human CT receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 2
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]adrenomedullin from human AM1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-induced cAMP response after 5 mins in the absence... |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-induced cAMP response after 5 mins in the presenc... |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364777
(CHEMBL1952142)Show SMILES COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50345259
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:4.7,1.0,(33.37,-17.22,;34.71,-16.45,;34.71,-14.91,;36.04,-14.15,;37.36,-14.92,;37.38,-16.46,;36.04,-17.22,;38.7,-14.15,;38.69,-12.61,;37.36,-11.84,;37.36,-10.3,;36.03,-9.53,;38.69,-9.53,;40.02,-10.29,;41.49,-9.81,;42.4,-11.05,;41.5,-12.3,;40.03,-11.83,;43.94,-11.04,;44.72,-12.37,;44.7,-9.7,)| Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+ | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50613306
(CHEMBL1235645)Show SMILES N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
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| UniChem
| | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50260552
(CHEMBL4087212)Show SMILES N[C@H]1CC[C@@H](CC1)Oc1cncc(n1)-c1ccc2c(c[nH]c2c1)-c1ccc(N)nc1F |r,wU:4.7,wD:1.0,(34.9,-16.2,;33.57,-16.97,;32.24,-16.2,;30.9,-16.98,;30.92,-18.52,;32.25,-19.28,;33.57,-18.51,;29.59,-19.3,;28.25,-18.53,;28.25,-16.99,;26.91,-16.23,;25.58,-17,;25.59,-18.55,;26.93,-19.31,;24.26,-19.34,;24.24,-20.89,;22.9,-21.64,;21.57,-20.85,;20.11,-21.32,;19.21,-20.06,;20.13,-18.83,;21.59,-19.32,;22.93,-18.56,;19.62,-22.77,;20.63,-23.92,;20.15,-25.38,;18.64,-25.69,;18.15,-27.15,;17.62,-24.54,;18.11,-23.08,;17.09,-21.92,)| Show InChI InChI=1S/C23H23FN6O/c24-23-17(7-8-21(26)30-23)18-10-28-19-9-13(1-6-16(18)19)20-11-27-12-22(29-20)31-15-4-2-14(25)3-5-15/h1,6-12,14-15,28H,2-5,25H2,(H2,26,30)/t14-,15- | PDB
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| PC cid
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50357598
(CHEMBL1915449)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1 Show InChI InChI=1S/C25H23ClN8/c1-33-9-11-34(12-10-33)16-5-6-22(21(26)13-16)30-25-18-7-8-27-14-20(18)17-3-2-4-19(23(17)31-25)24-28-15-29-32-24/h2-8,13-15H,9-12H2,1H3,(H,30,31)(H,28,29,32) | PDB
MMDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50260557
(CHEMBL4102644)Show SMILES CCOC1CN(CCO1)c1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(Cl)c1 Show InChI InChI=1S/C26H24ClN7O2/c1-2-35-23-14-34(10-11-36-23)16-6-7-22(21(27)12-16)31-26-18-8-9-28-13-20(18)17-4-3-5-19(24(17)32-26)25-29-15-30-33-25/h3-9,12-13,15,23H,2,10-11,14H2,1H3,(H,31,32)(H,29,30,33) | PDB
MMDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50260545
(CHEMBL4090634)Show SMILES N[C@H](COc1cncc(n1)-c1ccc2c(c[nH]c2c1)-c1ccc(N)nc1F)c1ccccc1 |r| Show InChI InChI=1S/C25H21FN6O/c26-25-18(8-9-23(28)32-25)19-11-30-21-10-16(6-7-17(19)21)22-12-29-13-24(31-22)33-14-20(27)15-4-2-1-3-5-15/h1-13,20,30H,14,27H2,(H2,28,32)/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM98618
(2-amino-1-ethyl-7-[3-hydroxy-3-(3-thienyl)but-1-yn...)Show SMILES CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#CC(C)(O)c1ccsc1 Show InChI InChI=1S/C20H20N4O3S/c1-4-24-17(21)15(19(26)22-3)16(25)14-6-5-13(23-18(14)24)7-9-20(2,27)12-8-10-28-11-12/h5-6,8,10-11,27H,4,21H2,1-3H3,(H,22,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | 20 |
Sanofi
US Patent
| Assay Description
Activity of VEGFR-3 is measured by ELISA assay by measuring the intensity of phosphorylation of the substrate poly Glu-Tyr. |
US Patent US8470847 (2013)
BindingDB Entry DOI: 10.7270/Q2WD3Z67 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50260544
(CHEMBL4062679)Show SMILES NC1CCN(CC1)c1ccc(cc1)-c1ccc2c(c[nH]c2c1)-c1ccc(N)nc1F Show InChI InChI=1S/C24H24FN5/c25-24-20(7-8-23(27)29-24)21-14-28-22-13-16(3-6-19(21)22)15-1-4-18(5-2-15)30-11-9-17(26)10-12-30/h1-8,13-14,17,28H,9-12,26H2,(H2,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50260553
(CHEMBL4087294)Show SMILES CC(C)[C@H](C)COc1cncc(n1)-c1ccc2c(c[nH]c2c1)-c1ccc(N)nc1F |r| Show InChI InChI=1S/C23H24FN5O/c1-13(2)14(3)12-30-22-11-26-10-20(28-22)15-4-5-16-18(9-27-19(16)8-15)17-6-7-21(25)29-23(17)24/h4-11,13-14,27H,12H2,1-3H3,(H2,25,29)/t14-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50260546
(CHEMBL4105153)Show SMILES Nc1ccc(-c2c[nH]c3cc(ccc23)-c2cncc(n2)N2CCNCC2)c(F)n1 Show InChI InChI=1S/C21H20FN7/c22-21-15(3-4-19(23)28-21)16-10-26-17-9-13(1-2-14(16)17)18-11-25-12-20(27-18)29-7-5-24-6-8-29/h1-4,9-12,24,26H,5-8H2,(H2,23,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50002747
(CHEMBL217546)Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.83 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza
Curated by ChEMBL
| Assay Description
Inhibition of maize HD1-A (mean) |
Bioorg Med Chem Lett 17: 1221-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50385084
(CHEMBL2035636)Show SMILES CN1C[C@@H]2CC[C@H]1CN2Cc1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 |r| Show InChI InChI=1S/C18H19BrN4O2/c1-22-7-12-4-3-11(22)8-23(12)9-15-20-16-13-6-10(19)2-5-14(13)25-17(16)18(24)21-15/h2,5-6,11-12H,3-4,7-9H2,1H3,(H,20,21,24)/t11-,12-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50385078
(CHEMBL2035629)Show SMILES Clc1cc(NC(=O)CCN2CCCCC2)ccc1-c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 Show InChI InChI=1S/C24H22BrClN4O3/c25-14-4-7-19-17(12-14)21-22(33-19)24(32)29-23(28-21)16-6-5-15(13-18(16)26)27-20(31)8-11-30-9-2-1-3-10-30/h4-7,12-13H,1-3,8-11H2,(H,27,31)(H,28,29,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50613306
(CHEMBL1235645)Show SMILES N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50260551
(CHEMBL4073348)Show SMILES CCOC1CCCN1c1ccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c(F)c1 Show InChI InChI=1S/C26H24FN7O/c1-2-35-23-7-4-12-34(23)16-8-9-22(21(27)13-16)31-26-18-10-11-28-14-20(18)17-5-3-6-19(24(17)32-26)25-29-15-30-33-25/h3,5-6,8-11,13-15,23H,2,4,7,12H2,1H3,(H,31,32)(H,29,30,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364813
(CHEMBL1952126)Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2ccc(NCC3CC4(C3)CCNCC4)nc12 Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)31-16-3-1-2-15(10-16)30-19-17(28-29-30)4-5-18(27-19)26-13-14-11-20(12-14)6-8-25-9-7-20/h1-5,10,14,25H,6-9,11-13H2,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50613306
(CHEMBL1235645)Show SMILES N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50385077
(CHEMBL2035628)Show SMILES Clc1cc(CNC2CCNCC2)ccc1-c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 Show InChI InChI=1S/C22H20BrClN4O2/c23-13-2-4-18-16(10-13)19-20(30-18)22(29)28-21(27-19)15-3-1-12(9-17(15)24)11-26-14-5-7-25-8-6-14/h1-4,9-10,14,25-26H,5-8,11H2,(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364773
(CHEMBL1952134)Show InChI InChI=1S/C19H25N7/c1-25(2)15-4-3-5-16(12-15)26-19-17(23-24-26)6-7-18(22-19)21-13-14-8-10-20-11-9-14/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM98616
(2-amino-1-cyclohexyl-7-(3-hydroxy-4-methoxy-3-meth...)Show SMILES CNC(=O)c1c(N)n(C2CCCCC2)c2nc(ccc2c1=O)C#CC(C)(O)COC Show InChI InChI=1S/C22H28N4O4/c1-22(29,13-30-3)12-11-14-9-10-16-18(27)17(21(28)24-2)19(23)26(20(16)25-14)15-7-5-4-6-8-15/h9-10,15,29H,4-8,13,23H2,1-3H3,(H,24,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | 20 |
Sanofi
US Patent
| Assay Description
Activity of VEGFR-3 is measured by ELISA assay by measuring the intensity of phosphorylation of the substrate poly Glu-Tyr. |
US Patent US8470847 (2013)
BindingDB Entry DOI: 10.7270/Q2WD3Z67 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50357587
(CHEMBL1915438)Show SMILES Clc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1 Show InChI InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50002746
(CHEMBL217545)Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.65 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza
Curated by ChEMBL
| Assay Description
Inhibition of maize HD1-A (mean) |
Bioorg Med Chem Lett 17: 1221-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364779
(CHEMBL1952144)Show SMILES FC(F)(F)Oc1cccc(c1)-n1nnc2cc(Cl)c(NCC3CCNCC3)nc12 Show InChI InChI=1S/C18H18ClF3N6O/c19-14-9-15-17(25-16(14)24-10-11-4-6-23-7-5-11)28(27-26-15)12-2-1-3-13(8-12)29-18(20,21)22/h1-3,8-9,11,23H,4-7,10H2,(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Zarqa University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis |
Bioorg Med Chem 25: 4855-4875 (2017)
Article DOI: 10.1016/j.bmc.2017.07.036
BindingDB Entry DOI: 10.7270/Q2BC420V |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM98610
(2-amino-1-ethyl-7-[3-hydroxy-3-(3-methoxyphenyl)bu...)Show SMILES CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#CC(C)(O)c1cccc(OC)c1 Show InChI InChI=1S/C23H24N4O4/c1-5-27-20(24)18(22(29)25-3)19(28)17-10-9-15(26-21(17)27)11-12-23(2,30)14-7-6-8-16(13-14)31-4/h6-10,13,30H,5,24H2,1-4H3,(H,25,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | 20 |
Sanofi
US Patent
| Assay Description
Activity of VEGFR-3 is measured by ELISA assay by measuring the intensity of phosphorylation of the substrate poly Glu-Tyr. |
US Patent US8470847 (2013)
BindingDB Entry DOI: 10.7270/Q2WD3Z67 |
More data for this
Ligand-Target Pair | |
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