Found 684 hits with Last Name = 'kiyota' and Initial = 't' 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 |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50164787
(CHEMBL3798088)Show SMILES CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@](C)(CCCCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C |r| Show InChI InChI=1S/C29H46N8O5/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33)/t20-,21-,22+,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of SUMO-His-tagged WDR5 (unknown origin) interaction with MLL1 assessed as displacement of fluorescence labelled Ac-ARA peptide substrate ... |
J Med Chem 59: 2478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01630 BindingDB Entry DOI: 10.7270/Q2VT1V0C |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528195
(CHEMBL4435320)Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 G328V mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528203
(CHEMBL4434694)Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 G328V mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528195
(CHEMBL4435320)Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 R258G mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM200712
(US9233086, 10A)Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H51N7O4/c1-5-34(6-2,41-29(43)24(3)4)31(45)39-27(20-15-23-38-33(36)37)30(44)42-35(21-13-14-22-35)32(46)40-28(25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-12,16-19,24,27-28H,5-6,13-15,20-23H2,1-4H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)(H4,36,37,38)/t27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His-tagged WDR5 (24 to 334 residues) (unknown origin) interaction with MLL1 assessed as displacement of 5-Lys-FAM peptide su... |
J Med Chem 59: 2478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01630 BindingDB Entry DOI: 10.7270/Q2VT1V0C |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528209
(CHEMBL4526828)Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2C[C@H](C)N(C)[C@H](C)C2)c1C |r| Show InChI InChI=1S/C28H34N4O3/c1-17-15-32(16-18(2)31(17)4)22-9-7-20(8-10-22)23-13-30-14-24(19(23)3)21-11-25(34-5)27(28(29)33)26(12-21)35-6/h7-14,17-18H,15-16H2,1-6H3,(H2,29,33)/t17-,18+ | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528195
(CHEMBL4435320)Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528196
(CHEMBL4575655)Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27FN4O2/c1-16-20(17-4-6-19(7-5-17)30-10-8-29(2)9-11-30)14-28-15-21(16)18-12-22(26)24(25(27)31)23(13-18)32-3/h4-7,12-15H,8-11H2,1-3H3,(H2,27,31) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544399
(CHEMBL4638273)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N Show InChI InChI=1S/C25H26N4O3/c1-30-23-12-18(13-24(31-2)25(23)32-3)22-16-28-15-21(20(22)14-26)17-4-6-19(7-5-17)29-10-8-27-9-11-29/h4-7,12-13,15-16,27H,8-11H2,1-3H3 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528190
(CHEMBL4548795)Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 G328V mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
G protein-coupled receptor kinase 6
(Homo sapiens (Human)) | BDBM50566950
(CHEMBL4852125)Show SMILES CCc1cc(Nc2nc(N[C@@H](C)c3ccc(Cl)cn3)nc3cccc(OC)c23)n[nH]1 |r| | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full-length human GRK6 using casein as substrate measured after 80 mins in presence of [gamma33P]ATP by radiometric scintil... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |
G protein-coupled receptor kinase 6
(Homo sapiens (Human)) | BDBM50566949
(CHEMBL4877302)Show SMILES CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human GRK6 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528208
(CHEMBL4440168)Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 G328V mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544408
(CHEMBL4641207)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(=O)N(C)C)c1C Show InChI InChI=1S/C28H34N4O4/c1-19-23(17-29-18-24(19)21-15-25(34-4)27(36-6)26(16-21)35-5)20-7-9-22(10-8-20)31-11-13-32(14-12-31)28(33)30(2)3/h7-10,15-18H,11-14H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528195
(CHEMBL4435320)Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H30N4O3/c1-17-21(18-5-7-20(8-6-18)30-11-9-29(2)10-12-30)15-28-16-22(17)19-13-23(32-3)25(26(27)31)24(14-19)33-4/h5-8,13-16H,9-12H2,1-4H3,(H2,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528203
(CHEMBL4434694)Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 R258G mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544414
(CHEMBL4641530)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCNCC1 |t:28| Show InChI InChI=1S/C26H28N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-9,13-16,27H,10-12H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528190
(CHEMBL4548795)Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528204
(CHEMBL4565968)Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H28N4O3/c1-16-20(17-4-6-19(7-5-17)29-10-8-27-9-11-29)14-28-15-21(16)18-12-22(31-2)24(25(26)30)23(13-18)32-3/h4-7,12-15,27H,8-11H2,1-3H3,(H2,26,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528188
(CHEMBL4553210)Show SMILES COc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 G328V mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528203
(CHEMBL4434694)Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528205
(CHEMBL4468389)Show SMILES COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(C)C)c1C Show InChI InChI=1S/C28H34N4O3/c1-18(2)31-10-12-32(13-11-31)22-8-6-20(7-9-22)23-16-30-17-24(19(23)3)21-14-25(34-4)27(28(29)33)26(15-21)35-5/h6-9,14-18H,10-13H2,1-5H3,(H2,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528194
(CHEMBL4517408)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 G328V mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na... |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544418
(CHEMBL4648102)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C26H30N2O4/c1-17-22(18-5-7-20(8-6-18)32-21-9-11-27-12-10-21)15-28-16-23(17)19-13-24(29-2)26(31-4)25(14-19)30-3/h5-8,13-16,21,27H,9-12H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544419
(CHEMBL4647724)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCN(C)CC2)cc1 Show InChI InChI=1S/C27H32N2O4/c1-18-23(19-6-8-21(9-7-19)33-22-10-12-29(2)13-11-22)16-28-17-24(18)20-14-25(30-3)27(32-5)26(15-20)31-4/h6-9,14-17,22H,10-13H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528190
(CHEMBL4548795)Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 R258G mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
G protein-coupled receptor kinase 6
(Homo sapiens (Human)) | BDBM50566953
(CHEMBL4860332)Show SMILES CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(C)c23)n[nH]1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full-length human GRK6 using casein as substrate measured after 80 mins in presence of [gamma33P]ATP by radiometric scintil... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528190
(CHEMBL4548795)Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Rhodopsin kinase GRK7
(Homo sapiens (Human)) | BDBM50566949
(CHEMBL4877302)Show SMILES CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1 | NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length human GRK7 using casein as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544413
(CHEMBL4633241)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCN(C)CC1 Show InChI InChI=1S/C27H32N2O3/c1-18-23(21-8-6-19(7-9-21)20-10-12-29(2)13-11-20)16-28-17-24(18)22-14-25(30-3)27(32-5)26(15-22)31-4/h6-9,14-17,20H,10-13H2,1-5H3 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528194
(CHEMBL4517408)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 Q207D mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by Na... |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544404
(CHEMBL4644571)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C28H35N3O3/c1-19(2)30-11-13-31(14-12-30)23-9-7-21(8-10-23)24-17-29-18-25(20(24)3)22-15-26(32-4)28(34-6)27(16-22)33-5/h7-10,15-19H,11-14H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528208
(CHEMBL4440168)Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 R258G mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
G protein-coupled receptor kinase 6
(Homo sapiens (Human)) | BDBM50566946
(CHEMBL4854871)Show SMILES CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |r| | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full-length human GRK6 using casein as substrate measured after 80 mins in presence of [gamma33P]ATP by radiometric scintil... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528194
(CHEMBL4517408)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of ALK2 G328V mutant (unknown origin) by radiometric assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544405
(CHEMBL4634857)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N[C@H](C)C1 |r| Show InChI InChI=1S/C27H33N3O3/c1-17-15-30(16-18(2)29-17)22-9-7-20(8-10-22)23-13-28-14-24(19(23)3)21-11-25(31-4)27(33-6)26(12-21)32-5/h7-14,17-18,29H,15-16H2,1-6H3/t17-,18+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528208
(CHEMBL4440168)Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25FN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
G protein-coupled receptor kinase 6
(Homo sapiens (Human)) | BDBM50566949
(CHEMBL4877302)Show SMILES CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full-length human GRK6 using casein as substrate measured after 80 mins in presence of [gamma33P]ATP by radiometric scintil... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544412
(CHEMBL4635321)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528194
(CHEMBL4517408)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544403
(CHEMBL4643265)Show SMILES COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C26H31N3O3/c1-18-22(19-6-8-21(9-7-19)29-12-10-28(2)11-13-29)16-27-17-23(18)20-14-24(30-3)26(32-5)25(15-20)31-4/h6-9,14-17H,10-13H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528203
(CHEMBL4434694)Show SMILES COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H25ClN4O2/c1-15-19(16-3-5-18(6-4-16)29-9-7-27-8-10-29)13-28-14-20(15)17-11-21(25)23(24(26)30)22(12-17)31-2/h3-6,11-14,27H,7-10H2,1-2H3,(H2,26,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528188
(CHEMBL4553210)Show SMILES COc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528188
(CHEMBL4553210)Show SMILES COc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of ALK2 R258G mutant (unknown origin) |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50528192
(CHEMBL4434717)Show SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N(C)[C@H](C)C1 |r| Show InChI InChI=1S/C27H31FN4O2/c1-16-14-32(15-17(2)31(16)4)21-8-6-19(7-9-21)22-12-30-13-23(18(22)3)20-10-24(28)26(27(29)33)25(11-20)34-5/h6-13,16-17H,14-15H2,1-5H3,(H2,29,33)/t16-,17+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay |
J Med Chem 63: 4978-4996 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00395 BindingDB Entry DOI: 10.7270/Q2MK6HB1 |
More data for this Ligand-Target Pair | |
G protein-coupled receptor kinase 6
(Homo sapiens (Human)) | BDBM50566923
(CHEMBL4855000)Show SMILES CCc1cc(Nc2nc(NCCc3ccccc3)nc3cccc(OC)c23)n[nH]1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full-length human GRK6 using casein as substrate measured after 80 mins in presence of [gamma33P]ATP by radiometric scintil... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |
G protein-coupled receptor kinase 6
(Homo sapiens (Human)) | BDBM50566951
(CHEMBL4875929)Show SMILES CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(C)c23)n[nH]1 |r| | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full-length human GRK6 using casein as substrate measured after 80 mins in presence of [gamma33P]ATP by radiometric scintil... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50544402
(CHEMBL4646278)Show SMILES COc1cc(cc(OC)c1F)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N Show InChI InChI=1S/C24H23FN4O2/c1-30-22-11-17(12-23(31-2)24(22)25)21-15-28-14-20(19(21)13-26)16-3-5-18(6-4-16)29-9-7-27-8-10-29/h3-6,11-12,14-15,27H,7-10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Ontario Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay |
J Med Chem 63: 10061-10085 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01199 BindingDB Entry DOI: 10.7270/Q2VM4GV3 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50566915
(CHEMBL4848826)Show SMILES CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc3ccccc23)n[nH]1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length human Aurora A using LRRASLG as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric sci... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |
G protein-coupled receptor kinase 5
(Homo sapiens (Human)) | BDBM50566949
(CHEMBL4877302)Show SMILES CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length human GRK5 using casein as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97 |
More data for this Ligand-Target Pair | |