Found 24 hits with Last Name = 'abbott' and Initial = 'bm' 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 |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50105595
((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...)Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 307-15 (2001)
BindingDB Entry DOI: 10.7270/Q2H130JX |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50105595
((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...)Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 298: 307-15 (2001)
BindingDB Entry DOI: 10.7270/Q2H130JX |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM10995
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence o... |
Bioorg Med Chem 22: 3879-86 (2014)
Article DOI: 10.1016/j.bmc.2014.06.018 BindingDB Entry DOI: 10.7270/Q2DR2X53 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM10995
((1R)-N-methyl-2,3-dihydro-1H-inden-1-amine | N-met...)Show InChI InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description Inhibition of PDK1 (unknown origin) using PDKtide substrate and [gamma-32P]ATP by scintillation counting method |
Bioorg Med Chem 22: 3781-90 (2014)
Article DOI: 10.1016/j.bmc.2014.04.037 BindingDB Entry DOI: 10.7270/Q2DB83HS |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM15296
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description Inhibition of human platelet phosphodiesterase 3 |
Bioorg Med Chem Lett 14: 2847-51 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.043 BindingDB Entry DOI: 10.7270/Q2H70F8N |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50049555
(CHEMBL3311455)Show SMILES COc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12 Show InChI InChI=1S/C18H20N6O2/c1-26-16-14-7-8-19-15(14)22-17(23-16)20-12-5-4-6-13(11-12)21-18(25)24-9-2-3-10-24/h4-8,11H,2-3,9-10H2,1H3,(H,21,25)(H2,19,20,22,23) | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence o... |
Bioorg Med Chem 22: 3879-86 (2014)
Article DOI: 10.1016/j.bmc.2014.06.018 BindingDB Entry DOI: 10.7270/Q2DR2X53 |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50049556
(CHEMBL3311451)Show SMILES COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12 Show InChI InChI=1S/C24H24N6O2/c1-32-19-9-7-16(8-10-19)21-20-11-12-25-22(20)29-23(28-21)26-17-5-4-6-18(15-17)27-24(31)30-13-2-3-14-30/h4-12,15H,2-3,13-14H2,1H3,(H,27,31)(H2,25,26,28,29) | 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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
La Trobe University
Curated by ChEMBL
| Assay Description Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence o... |
Bioorg Med Chem 22: 3879-86 (2014)
Article DOI: 10.1016/j.bmc.2014.06.018 BindingDB Entry DOI: 10.7270/Q2DR2X53 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50034908
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description Inhibition of human platelet phosphodiesterase 2 |
Bioorg Med Chem Lett 14: 2847-51 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.043 BindingDB Entry DOI: 10.7270/Q2H70F8N |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50146422
(2-Morpholin-4-yl-8-phenylethynyl-chromen-4-one | 2...)Show InChI InChI=1S/C21H17NO3/c23-19-15-20(22-11-13-24-14-12-22)25-21-17(7-4-8-18(19)21)10-9-16-5-2-1-3-6-16/h1-8,15H,11-14H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description Inhibition of human platelet phosphodiesterase 2 |
Bioorg Med Chem Lett 14: 2847-51 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.043 BindingDB Entry DOI: 10.7270/Q2H70F8N |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50146421
(8-(3-Chloro-phenyl)-6-methoxy-2-morpholin-4-yl-chr...)Show SMILES COc1cc(-c2cccc(Cl)c2)c2oc(cc(=O)c2c1)N1CCOCC1 Show InChI InChI=1S/C20H18ClNO4/c1-24-15-10-16(13-3-2-4-14(21)9-13)20-17(11-15)18(23)12-19(26-20)22-5-7-25-8-6-22/h2-4,9-12H,5-8H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description Inhibition of human platelet phosphodiesterase 2 |
Bioorg Med Chem Lett 14: 2847-51 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.043 BindingDB Entry DOI: 10.7270/Q2H70F8N |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM12915
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description Inhibition of human platelet phosphodiesterase 2 |
Bioorg Med Chem Lett 14: 2847-51 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.043 BindingDB Entry DOI: 10.7270/Q2H70F8N |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM12915
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description Inhibition of human platelet phosphodiesterase 3 |
Bioorg Med Chem Lett 14: 2847-51 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.043 BindingDB Entry DOI: 10.7270/Q2H70F8N |
More data for this Ligand-Target Pair | |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576685
(CHEMBL4871128)Show SMILES COc1ccc(cc1)-c1oc2cc(ccc2c1CC(O)=O)-c1cccc(OC)c1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli DsbA using DOTA/Eu(III)-CQQGFDGTQNSCK-MCA as substrate in presence of oxidized glutathione measured by fluorescence an... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576681
(CHEMBL4846499) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576682
(CHEMBL4855609) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.60E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576683
(CHEMBL4854940) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.03E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576684
(CHEMBL4848780)Show SMILES COc1cccc(c1)-c1oc2cc(ccc2c1CC(O)=O)-c1cccc(OC)c1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 5.31E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576685
(CHEMBL4871128)Show SMILES COc1ccc(cc1)-c1oc2cc(ccc2c1CC(O)=O)-c1cccc(OC)c1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 2.74E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576686
(CHEMBL4875684)Show SMILES COc1cccc(c1)-c1ccc2c(CC(O)=O)c(oc2c1)-c1cccc(c1)C(O)=O | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 9.78E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576679
(CHEMBL4851994) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 8.20E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576678
(CHEMBL4852788) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.30E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576677
(CHEMBL4877192) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.10E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576676
(CHEMBL4868312) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 8.30E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | |
Thiol:disulfide interchange protein DsbA
(Escherichia coli (strain K12)) | BDBM50576680
(CHEMBL4860222) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.14E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116315 BindingDB Entry DOI: 10.7270/Q2765K51 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |