Found 17 hits of Enzyme Inhibition Constant Data 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350777
(CHEMBL1818827)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(Br)cc(Br)c2)nn1 Show InChI InChI=1S/C20H17Br2N5O/c1-13-9-26(12-23-13)19-4-3-15(7-20(19)28-2)18-11-27(25-24-18)10-14-5-16(21)8-17(22)6-14/h3-9,11-12H,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350788
(CHEMBL1818826)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)nn1 Show InChI InChI=1S/C28H35N5O/c1-19-15-32(18-29-19)25-10-9-21(13-26(25)34-8)24-17-33(31-30-24)16-20-11-22(27(2,3)4)14-23(12-20)28(5,6)7/h9-15,17-18H,16H2,1-8H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350785
(CHEMBL1818829)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)C(C)(C)C)nn1 Show InChI InChI=1S/C24H27N5O/c1-17-13-28(16-25-17)22-11-8-19(12-23(22)30-5)21-15-29(27-26-21)14-18-6-9-20(10-7-18)24(2,3)4/h6-13,15-16H,14H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350786
(CHEMBL1818828)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nn1 Show InChI InChI=1S/C22H17F6N5O/c1-13-9-32(12-29-13)19-4-3-15(7-20(19)34-2)18-11-33(31-30-18)10-14-5-16(21(23,24)25)8-17(6-14)22(26,27)28/h3-9,11-12H,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350776
(CHEMBL1818825)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(OC(F)(F)F)c2)nn1 Show InChI InChI=1S/C21H18F3N5O2/c1-14-10-28(13-25-14)19-7-6-16(9-20(19)30-2)18-12-29(27-26-18)11-15-4-3-5-17(8-15)31-21(22,23)24/h3-10,12-13H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350775
(CHEMBL1818824)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(c2)C(F)(F)F)nn1 Show InChI InChI=1S/C21H18F3N5O/c1-14-10-28(13-25-14)19-7-6-16(9-20(19)30-2)18-12-29(27-26-18)11-15-4-3-5-17(8-15)21(22,23)24/h3-10,12-13H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350782
(CHEMBL1818835)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2csc3ccccc23)nn1 Show InChI InChI=1S/C22H19N5OS/c1-15-10-26(14-23-15)20-8-7-16(9-21(20)28-2)19-12-27(25-24-19)11-17-13-29-22-6-4-3-5-18(17)22/h3-10,12-14H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350774
(CHEMBL1818823)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(F)cc2)nn1 Show InChI InChI=1S/C20H18FN5O/c1-14-10-25(13-22-14)19-8-5-16(9-20(19)27-2)18-12-26(24-23-18)11-15-3-6-17(21)7-4-15/h3-10,12-13H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350772
(CHEMBL1818821)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccccc2F)nn1 Show InChI InChI=1S/C20H18FN5O/c1-14-10-25(13-22-14)19-8-7-15(9-20(19)27-2)18-12-26(24-23-18)11-16-5-3-4-6-17(16)21/h3-10,12-13H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350773
(CHEMBL1818822)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(F)c2)nn1 Show InChI InChI=1S/C20H18FN5O/c1-14-10-25(13-22-14)19-7-6-16(9-20(19)27-2)18-12-26(24-23-18)11-15-4-3-5-17(21)8-15/h3-10,12-13H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350787
(CHEMBL1818830)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc3cccnc23)nn1 Show InChI InChI=1S/C23H20N6O/c1-16-12-28(15-25-16)21-9-8-18(11-22(21)30-2)20-14-29(27-26-20)13-19-6-3-5-17-7-4-10-24-23(17)19/h3-12,14-15H,13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350780
(CHEMBL1818833)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)-c2noc(C)n2)nn1 Show InChI InChI=1S/C23H21N7O2/c1-15-11-29(14-24-15)21-9-8-19(10-22(21)31-3)20-13-30(28-26-20)12-17-4-6-18(7-5-17)23-25-16(2)32-27-23/h4-11,13-14H,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350781
(CHEMBL1818834)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)-c2noc(n2)-c2ccncc2)nn1 Show InChI InChI=1S/C27H22N8O2/c1-18-14-34(17-29-18)24-8-7-22(13-25(24)36-2)23-16-35(33-31-23)15-19-3-5-20(6-4-19)26-30-27(37-32-26)21-9-11-28-12-10-21/h3-14,16-17H,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350784
(CHEMBL1818837)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc(cc2)-c2nc3ccccc3o2)nn1 Show InChI InChI=1S/C27H22N6O2/c1-18-14-32(17-28-18)24-12-11-21(13-26(24)34-2)23-16-33(31-30-23)15-19-7-9-20(10-8-19)27-29-22-5-3-4-6-25(22)35-27/h3-14,16-17H,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350779
(CHEMBL1818832)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(c2)-c2noc(C)n2)nn1 Show InChI InChI=1S/C23H21N7O2/c1-15-11-29(14-24-15)21-8-7-18(10-22(21)31-3)20-13-30(28-26-20)12-17-5-4-6-19(9-17)23-25-16(2)32-27-23/h4-11,13-14H,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350783
(CHEMBL1818836)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2ccc3ccsc3c2)nn1 Show InChI InChI=1S/C22H19N5OS/c1-15-11-26(14-23-15)20-6-5-18(10-21(20)28-2)19-13-27(25-24-19)12-16-3-4-17-7-8-29-22(17)9-16/h3-11,13-14H,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50350778
(CHEMBL1818831)Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(Cc2cccc(c2)-n2cccn2)nn1 Show InChI InChI=1S/C23H21N7O/c1-17-13-28(16-24-17)22-8-7-19(12-23(22)31-2)21-15-29(27-26-21)14-18-5-3-6-20(11-18)30-10-4-9-25-30/h3-13,15-16H,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Boston
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG by radioligand displacement assay |
Bioorg Med Chem Lett 21: 4083-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.089
BindingDB Entry DOI: 10.7270/Q2Z3201J |
More data for this
Ligand-Target Pair | |
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