Found 19 hits with Last Name = 'shenje' and Initial = 'r' 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 |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50502640
![PNG](/data/jpeg/tenK5050/BindingDB_50502640.png) (CHEMBL4470585)Show SMILES CC(C)(O)c1cnc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r| Show InChI InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human TRPV4 |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505550
![PNG](/data/jpeg/tenK5050/BindingDB_50505550.png) (CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human TRPV4 |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505551
![PNG](/data/jpeg/tenK5050/BindingDB_50505551.png) (CHEMBL4517101)Show SMILES NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2FN3O4S/c19-12-2-4-16(14(20)5-12)29(26,27)24-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,25H,8-10,23H2/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505543
![PNG](/data/jpeg/tenK5050/BindingDB_50505543.png) (CHEMBL4454801)Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccccc1C#N |r| Show InChI InChI=1S/C19H16FN3O5S/c20-16-7-15(6-5-13(16)8-21)28-18-10-23(11-19(18,25)12-24)29(26,27)17-4-2-1-3-14(17)9-22/h1-7,18,24-25H,10-12H2/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505546
![PNG](/data/jpeg/tenK5050/BindingDB_50505546.png) (CHEMBL4533534 | US11260049, Ex. 82)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-3-6-16(15(20)7-13)30(27,28)22-9-17(18(24,10-22)11-23)29(25,26)14-4-1-12(8-21)2-5-14/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505544
![PNG](/data/jpeg/tenK5050/BindingDB_50505544.png) (CHEMBL4550510)Show SMILES NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50426531
![PNG](/data/jpeg/tenK5042/BindingDB_50426531.png) (CHEMBL2323935)Show SMILES CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(CC1)c1ccc(cc1)C(C)(C)C#N Show InChI InChI=1S/C28H34Cl2N6O/c1-17(2)32-27-33-25-22(15-21(29)24(30)23(25)26(37)34(5)6)36(27)20-11-13-35(14-12-20)19-9-7-18(8-10-19)28(3,4)16-31/h7-10,15,17,20H,11-14H2,1-6H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human TRPV4 |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50450509
![PNG](/data/jpeg/tenK5045/BindingDB_50450509.png) (CHEMBL4173887)Show SMILES OC[C@@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O5S/c19-12-2-4-16(14(20)5-12)29(26,27)23-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,24-25H,8-10H2/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505548
![PNG](/data/jpeg/tenK5050/BindingDB_50505548.png) (CHEMBL4437649)Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C17H15ClFN3O5S/c18-12-2-4-16(21-7-12)28(25,26)22-8-15(17(24,9-22)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,23-24H,8-10H2/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232797
![PNG](/data/jpeg/tenK5023/BindingDB_50232797.png) (CHEMBL4073922)Show SMILES FC(F)(F)c1cccc(c1)-c1nc2cc(Br)ccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C37H38BrF3N4O/c38-28-12-13-30-32(23-28)42-34(25-8-7-11-27(22-25)37(39,40)41)31(24-44-20-14-29(15-21-44)45-18-5-2-6-19-45)33(30)35(46)43-36(16-17-36)26-9-3-1-4-10-26/h1,3-4,7-13,22-23,29H,2,5-6,14-21,24H2,(H,43,46) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at human TRPV4 channel transfected in HEK cells assessed as inhibition of GSK634775-evoked Ca2+ influx by FLIPR method |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505545
![PNG](/data/jpeg/tenK5050/BindingDB_50505545.png) (CHEMBL4468250)Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H16ClFN2O5S/c19-13-2-5-15(6-3-13)28(25,26)22-9-17(18(24,10-22)11-23)27-14-4-1-12(8-21)16(20)7-14/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505547
![PNG](/data/jpeg/tenK5050/BindingDB_50505547.png) (CHEMBL4453088)Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C19H16F4N2O5S/c20-16-7-14(4-1-12(16)8-24)30-17-9-25(10-18(17,27)11-26)31(28,29)15-5-2-13(3-6-15)19(21,22)23/h1-7,17,26-27H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505552
![PNG](/data/jpeg/tenK5050/BindingDB_50505552.png) (CHEMBL4459916)Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F4N3O5S/c19-14-5-12(2-1-11(14)6-23)30-16-8-25(9-17(16,27)10-26)31(28,29)13-3-4-15(24-7-13)18(20,21)22/h1-5,7,16,26-27H,8-10H2/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505553
![PNG](/data/jpeg/tenK5050/BindingDB_50505553.png) (CHEMBL4440858)Show SMILES OC[C@@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C17H15ClFN3O5S/c18-12-2-4-16(21-7-12)28(25,26)22-8-15(17(24,9-22)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,23-24H,8-10H2/t15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50505551
![PNG](/data/jpeg/tenK5050/BindingDB_50505551.png) (CHEMBL4517101)Show SMILES NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2FN3O4S/c19-12-2-4-16(14(20)5-12)29(26,27)24-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,25H,8-10,23H2/t17-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50505551
![PNG](/data/jpeg/tenK5050/BindingDB_50505551.png) (CHEMBL4517101)Show SMILES NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2FN3O4S/c19-12-2-4-16(14(20)5-12)29(26,27)24-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,25H,8-10,23H2/t17-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human ERG by electrophysiology |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505549
![PNG](/data/jpeg/tenK5050/BindingDB_50505549.png) (CHEMBL4466785)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C17H16ClN3O6S2/c18-13-3-6-16(20-8-13)29(26,27)21-9-15(17(23,10-21)11-22)28(24,25)14-4-1-12(7-19)2-5-14/h1-6,8,15,22-23H,9-11H2/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f... |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50505544
![PNG](/data/jpeg/tenK5050/BindingDB_50505544.png) (CHEMBL4550510)Show SMILES NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50505544
![PNG](/data/jpeg/tenK5050/BindingDB_50505544.png) (CHEMBL4550510)Show SMILES NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human ERG by electrophysiology |
J Med Chem 62: 9270-9280 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01247 BindingDB Entry DOI: 10.7270/Q2N30173 |
More data for this Ligand-Target Pair | |