Found 385 hits with Last Name = 'grygielko' and Initial = 'e' 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 |
|---|
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50415020
(CHEMBL570708)Show SMILES Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl Show InChI InChI=1S/C18H11Cl2N3OS/c1-8-11(7-21)17(20)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at progesterone receptor in human T47D cell after 24 hrs by alkaline phosphatase assay |
Bioorg Med Chem Lett 19: 4916-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304973
((S)-4-((2-bromobenzyl)(1-(methylsulfonyl)pyrrolidi...)Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Br)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19BrClN3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-18(15)20)16-7-6-14(11-22)19(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 | PDB
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 |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294706
(4-((2-chlorobenzyl)(3-methyl-1-(1-methyl-1H-tetraz...)Show SMILES CC(C)CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C Show InChI InChI=1S/C21H22Cl2N6/c1-14(2)10-20(21-25-26-27-28(21)3)29(13-16-6-4-5-7-18(16)22)17-9-8-15(12-24)19(23)11-17/h4-9,11,14,20H,10,13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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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 |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304972
((S)-2-chloro-4-((2-chlorobenzyl)(1-(methylsulfonyl...)Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19Cl2N3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-18(15)20)16-7-6-14(11-22)19(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304987
((S)-4-((2-bromobenzyl)(1-propionylpyrrolidin-3-yl)...)Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1Br)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H21BrClN3O/c1-2-21(27)25-10-9-18(14-25)26(13-16-5-3-4-6-19(16)22)17-8-7-15(12-24)20(23)11-17/h3-8,11,18H,2,9-10,13-14H2,1H3/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298033
((S)-ethyl 2-(3-((3-chloro-4-cyanophenyl)(2-chlorob...)Show SMILES CCOC(=O)CN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C22H23Cl2N3O2/c1-2-29-22(28)15-26-10-9-19(14-26)27(13-17-5-3-4-6-20(17)23)18-8-7-16(12-25)21(24)11-18/h3-8,11,19H,2,9-10,13-15H2,1H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay |
Bioorg Med Chem Lett 19: 4777-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298032
((S)-2-chloro-4-((2-chlorobenzyl)(1-(cyanomethyl)py...)Show SMILES Clc1ccccc1CN([C@H]1CCN(CC#N)C1)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H18Cl2N4/c21-19-4-2-1-3-16(19)13-26(18-7-9-25(14-18)10-8-23)17-6-5-15(12-24)20(22)11-17/h1-6,11,18H,7,9-10,13-14H2/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay |
Bioorg Med Chem Lett 19: 4777-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304978
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2-chloroben...)Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H19Cl2N3O2/c1-27-20(26)24-9-8-17(13-24)25(12-15-4-2-3-5-18(15)21)16-7-6-14(11-23)19(22)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026798
(CHEMBL1956072 | SB-742548)Show SMILES Cl.CCn1c(nc2cncc(-c3ccc(CN)cc3)c12)-c1nonc1N Show InChI InChI=1S/C17H17N7O.ClH/c1-2-24-15-12(11-5-3-10(7-18)4-6-11)8-20-9-13(15)21-17(24)14-16(19)23-25-22-14;/h3-6,8-9H,2,7,18H2,1H3,(H2,19,23);1H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14032
(4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-ox...)Show InChI InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50026798
(CHEMBL1956072 | SB-742548)Show SMILES Cl.CCn1c(nc2cncc(-c3ccc(CN)cc3)c12)-c1nonc1N Show InChI InChI=1S/C17H17N7O.ClH/c1-2-24-15-12(11-5-3-10(7-18)4-6-11)8-20-9-13(15)21-17(24)14-16(19)23-25-22-14;/h3-6,8-9H,2,7,18H2,1H3,(H2,19,23);1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298208
((S)-2-chloro-4-((2-chloro-5-fluorobenzyl)(1-ethyl-...)Show SMILES CCN1C[C@H](CC1=O)N(Cc1cc(F)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H18Cl2FN3O/c1-2-25-12-17(9-20(25)27)26(11-14-7-15(23)4-6-18(14)21)16-5-3-13(10-24)19(22)8-16/h3-8,17H,2,9,11-12H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor |
Bioorg Med Chem Lett 19: 4664-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298207
((S)-2-chloro-4-((2-chlorobenzyl)(1-isopropyl-5-oxo...)Show SMILES CC(C)N1C[C@H](CC1=O)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H21Cl2N3O/c1-14(2)25-13-18(10-21(25)27)26(12-16-5-3-4-6-19(16)22)17-8-7-15(11-24)20(23)9-17/h3-9,14,18H,10,12-13H2,1-2H3/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor |
Bioorg Med Chem Lett 19: 4664-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298210
((S)-2-chloro-4-((2,5-dichlorobenzyl)(1-ethyl-5-oxo...)Show SMILES CCN1C[C@H](CC1=O)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H18Cl3N3O/c1-2-25-12-17(9-20(25)27)26(11-14-7-15(21)4-6-18(14)22)16-5-3-13(10-24)19(23)8-16/h3-8,17H,2,9,11-12H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor |
Bioorg Med Chem Lett 19: 4664-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14032
(4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-ox...)Show InChI InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304977
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2-methylben...)Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H22ClN3O2/c1-15-5-3-4-6-17(15)13-25(18-8-7-16(12-23)20(22)11-18)19-9-10-24(14-19)21(26)27-2/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184871
(4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyr...)Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C25H25N5O2/c1-2-9-26-23(3-1)25-22(18-28-29-25)20-8-10-27-24(17-20)19-4-6-21(7-5-19)32-16-13-30-11-14-31-15-12-30/h1-10,17-18H,11-16H2,(H,28,29) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay |
J Med Chem 49: 2210-21 (2006)
Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304975
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2-(trifluor...)Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H19ClF3N3O2/c1-30-20(29)27-9-8-17(13-27)28(16-7-6-14(11-26)19(22)10-16)12-15-4-2-3-5-18(15)21(23,24)25/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304976
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2-fluoroben...)Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H19ClFN3O2/c1-27-20(26)24-9-8-17(13-24)25(12-15-4-2-3-5-19(15)22)16-7-6-14(11-23)18(21)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304964
((S)-2-chloro-4-((1-(methylsulfonyl)pyrrolidin-3-yl...)Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H19ClF3N3O2S/c1-30(28,29)26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294705
(4-((2-chlorobenzyl)(1-(1-methyl-1H-tetrazol-5-yl)p...)Show SMILES CCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C Show InChI InChI=1S/C19H18Cl2N6/c1-3-18(19-23-24-25-26(19)2)27(12-14-6-4-5-7-16(14)20)15-9-8-13(11-22)17(21)10-15/h4-10,18H,3,12H2,1-2H3 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298030
((S)-2-chloro-4-((2-chlorobenzyl)(1-(3,3,3-trifluor...)Show SMILES FC(F)(F)CCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H20Cl2F3N3/c22-19-4-2-1-3-16(19)13-29(17-6-5-15(12-27)20(23)11-17)18-7-9-28(14-18)10-8-21(24,25)26/h1-6,11,18H,7-10,13-14H2/t18-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay |
Bioorg Med Chem Lett 19: 4777-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294703
(4-((2-chlorobenzyl)(1-(4-methyl-4H-1,2,4-triazol-3...)Show SMILES CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C Show InChI InChI=1S/C19H17Cl2N5/c1-13(19-24-23-12-25(19)2)26(11-15-5-3-4-6-17(15)20)16-8-7-14(10-22)18(21)9-16/h3-9,12-13H,11H2,1-2H3 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294696
(4-((2-chlorobenzyl)(1-(2-methylthiazol-4-yl)ethyl)...)Show SMILES CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1csc(C)n1 Show InChI InChI=1S/C20H17Cl2N3S/c1-13(20-12-26-14(2)24-20)25(11-16-5-3-4-6-18(16)21)17-8-7-15(10-23)19(22)9-17/h3-9,12-13H,11H2,1-2H3 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294702
(4-((2-chlorobenzyl)(1-(1-methyl-1H-tetrazol-5-yl)e...)Show SMILES CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C Show InChI InChI=1S/C18H16Cl2N6/c1-12(18-22-23-24-25(18)2)26(11-14-5-3-4-6-16(14)19)15-8-7-13(10-21)17(20)9-15/h3-9,12H,11H2,1-2H3 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294715
(4-((2-chlorobenzyl)(1-(4-methyl-4H-1,2,4-triazol-3...)Show SMILES CCCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C Show InChI InChI=1S/C21H21Cl2N5/c1-3-6-20(21-26-25-14-27(21)2)28(13-16-7-4-5-8-18(16)22)17-10-9-15(12-24)19(23)11-17/h4-5,7-11,14,20H,3,6,13H2,1-2H3 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-5
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
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Reactome pathway
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GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MSK1 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184879
(CHEMBL424676 | dimethyl-{2-[(4-{4-[3-(pyridin-2-yl...)Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C23H23N5O/c1-28(2)13-14-29-19-8-6-17(7-9-19)22-15-18(10-12-25-22)20-16-26-27-23(20)21-5-3-4-11-24-21/h3-12,15-16H,13-14H2,1-2H3,(H,26,27) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay |
J Med Chem 49: 2210-21 (2006)
Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298219
((R)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)Show SMILES CN1CC[C@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m1/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor |
Bioorg Med Chem Lett 19: 4664-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298209
((S)-2-chloro-4-((1-ethyl-5-oxopyrrolidin-3-yl)(2-m...)Show SMILES CCN1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H22ClN3O/c1-3-24-14-19(11-21(24)26)25(13-17-7-5-4-6-15(17)2)18-9-8-16(12-23)20(22)10-18/h4-10,19H,3,11,13-14H2,1-2H3/t19-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor |
Bioorg Med Chem Lett 19: 4664-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298028
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304974
((S)-2-chloro-4-((2-methylbenzyl)(1-(methylsulfonyl...)Show SMILES Cc1ccccc1CN([C@H]1CCN(C1)S(C)(=O)=O)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H22ClN3O2S/c1-15-5-3-4-6-17(15)13-24(18-8-7-16(12-22)20(21)11-18)19-9-10-23(14-19)27(2,25)26/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294707
(4-((2-chlorobenzyl)(1-(1-ethyl-1H-tetrazol-5-yl)et...)Show SMILES CCn1nnnc1C(C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C19H18Cl2N6/c1-3-27-19(23-24-25-27)13(2)26(12-15-6-4-5-7-17(15)20)16-9-8-14(11-22)18(21)10-16/h4-10,13H,3,12H2,1-2H3 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304957
((S)-2-chloro-4-((2-methylbenzyl)(1-propionylpyrrol...)Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C22H24ClN3O/c1-3-22(27)25-11-10-20(15-25)26(14-18-7-5-4-6-16(18)2)19-9-8-17(13-24)21(23)12-19/h4-9,12,20H,3,10-11,14-15H2,1-2H3/t20-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294712
((S)-2-chloro-4-((cyclobutylmethyl)(3-methyl-1-(1-m...)Show SMILES CC(C)C[C@H](N(CC1CCC1)c1ccc(C#N)c(Cl)c1)c1nnnn1C |r| Show InChI InChI=1S/C19H25ClN6/c1-13(2)9-18(19-22-23-24-25(19)3)26(12-14-5-4-6-14)16-8-7-15(11-21)17(20)10-16/h7-8,10,13-14,18H,4-6,9,12H2,1-3H3/t18-/m0/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298028
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 | PDB
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Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay |
Bioorg Med Chem Lett 19: 4777-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294714
(4-((2-chlorobenzyl)(1-(4-methyl-4H-1,2,4-triazol-3...)Show SMILES CCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C Show InChI InChI=1S/C20H19Cl2N5/c1-3-19(20-25-24-13-26(20)2)27(12-15-6-4-5-7-17(15)21)16-9-8-14(11-23)18(22)10-16/h4-10,13,19H,3,12H2,1-2H3 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50294710
(2-chloro-4-(isobutyl(3-methyl-1-(1-methyl-1H-tetra...)Show SMILES CC(C)CC(N(CC(C)C)c1ccc(C#N)c(Cl)c1)c1nnnn1C Show InChI InChI=1S/C18H25ClN6/c1-12(2)8-17(18-21-22-23-24(18)5)25(11-13(3)4)15-7-6-14(10-20)16(19)9-15/h6-7,9,12-13,17H,8,11H2,1-5H3 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay |
Bioorg Med Chem Lett 19: 2637-41 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.146
BindingDB Entry DOI: 10.7270/Q2FX79GM |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184872
(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-y...)Show SMILES O=C(NC1CCOCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31) | PDB
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MCE
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay |
J Med Chem 49: 2210-21 (2006)
Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184890
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-[4-(1-pyrro...)Show SMILES C(N1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C24H23N5/c1-2-11-25-22(5-1)24-21(16-27-28-24)20-10-12-26-23(15-20)19-8-6-18(7-9-19)17-29-13-3-4-14-29/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,27,28) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay |
J Med Chem 49: 2210-21 (2006)
Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50184887
(2-{4-[(2-chloroethyl)oxy]phenyl}-4-[3-(pyridin-2-y...)Show SMILES ClCCOc1ccc(cc1)-c1cc(ccn1)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C21H17ClN4O/c22-9-12-27-17-6-4-15(5-7-17)20-13-16(8-11-24-20)18-14-25-26-21(18)19-3-1-2-10-23-19/h1-8,10-11,13-14H,9,12H2,(H,25,26) | PDB
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antibodypedia
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UniChem
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay |
J Med Chem 49: 2210-21 (2006)
Article DOI: 10.1021/jm0509905
BindingDB Entry DOI: 10.7270/Q2DV1KPB |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304980
((S)-methyl 3-((3-chloro-4-cyanophenyl)(5-fluoro-2-...)Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H21ClFN3O2/c1-14-3-5-17(23)9-16(14)12-26(18-6-4-15(11-24)20(22)10-18)19-7-8-25(13-19)21(27)28-2/h3-6,9-10,19H,7-8,12-13H2,1-2H3/t19-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304979
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2,3-difluor...)Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1cccc(F)c1F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C20H18ClF2N3O2/c1-28-20(27)25-8-7-16(12-25)26(11-14-3-2-4-18(22)19(14)23)15-6-5-13(10-24)17(21)9-15/h2-6,9,16H,7-8,11-12H2,1H3/t16-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50304971
((S)-2-chloro-4-((2-fluorobenzyl)(1-(methylsulfonyl...)Show SMILES CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19ClFN3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-19(15)21)16-7-6-14(11-22)18(20)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of PR |
Bioorg Med Chem Lett 20: 371-4 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298029
((S)-2-chloro-4-((2-chlorobenzyl)(1-isopropylpyrrol...)Show SMILES CC(C)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C21H23Cl2N3/c1-15(2)25-10-9-19(14-25)26(13-17-5-3-4-6-20(17)22)18-8-7-16(12-24)21(23)11-18/h3-8,11,15,19H,9-10,13-14H2,1-2H3/t19-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay |
Bioorg Med Chem Lett 19: 4777-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50298211
((S)-2-chloro-4-((1-isopropyl-5-oxopyrrolidin-3-yl)...)Show SMILES CC(C)N1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C22H24ClN3O/c1-15(2)25-14-20(11-22(25)27)26(13-18-7-5-4-6-16(18)3)19-9-8-17(12-24)21(23)10-19/h4-10,15,20H,11,13-14H2,1-3H3/t20-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to progesterone receptor |
Bioorg Med Chem Lett 19: 4664-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T |
More data for this
Ligand-Target Pair | |
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