Found 146 hits with Last Name = 'mccleland' and Initial = 'bw' 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 |
|---|
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50125265
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521182
(CHEMBL4456312 | US11260049, Ex. 123)Show SMILES NC[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/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-23(11-18(17,24)10-22)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,24H,9-11,22H2/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521192
(CHEMBL4547537 | US11260049, Ex. 121)Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521183
(CHEMBL4461475 | US11260049, Ex. 125)Show SMILES NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50521183
(CHEMBL4461475 | US11260049, Ex. 125)Show SMILES NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 m... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182422
(CHEMBL3818650)Show SMILES COC(CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50502640
(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
| 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 Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521195
(CHEMBL4586959 | US11260049, Ex. 84)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1C#N |r| Show InChI InChI=1S/C19H16ClN3O6S2/c20-15-3-6-17(14(7-15)9-22)31(28,29)23-10-18(19(25,11-23)12-24)30(26,27)16-4-1-13(8-21)2-5-16/h1-7,18,24-25H,10-12H2/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
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 |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521185
(CHEMBL4439448 | US11260049, Ex. 83)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O6S2/c19-12-2-4-16(14(20)5-12)31(28,29)23-8-17(18(25,9-23)10-24)30(26,27)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
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182421
(CHEMBL3817896)Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H29N3O3S/c1-15-6-4-5-7-19(15)20-12-21(22(10-16(20)2)29-9-8-24)26-23-25-17(14-30-23)11-18(13-27)28-3/h4-7,10,12,14,18,27H,8-9,11,13,24H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505550
(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
| 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)) | BDBM50505550
(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
| 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 |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521186
(CHEMBL4547101 | US11260049, Ex. 45)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C19H16ClN3O6S2/c20-16-7-14(9-22)3-6-17(16)31(28,29)23-10-18(19(25,11-23)12-24)30(26,27)15-4-1-13(8-21)2-5-15/h1-7,18,24-25H,10-12H2/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505551
(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
| 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 | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182420
(CHEMBL3819600)Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OC)-c2ccccc2C)n1 Show InChI InChI=1S/C22H26N2O3S/c1-14-7-5-6-8-18(14)19-11-20(21(27-4)9-15(19)2)24-22-23-16(13-28-22)10-17(12-25)26-3/h5-9,11,13,17,25H,10,12H2,1-4H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505543
(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
| 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
(Rattus norvegicus) | BDBM50505550
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 m... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521180
(CHEMBL4437115 | US11260049, Ex. 1)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H15Cl2N3O6S2/c18-12-2-4-16(21-7-12)29(25,26)15-8-22(9-17(15,24)10-23)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,23-24H,8-10H2/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
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 |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50140791
(1-(3-Bromo-4-cyano-2-hydroxy-phenyl)-3-(2-bromo-ph...)Show InChI InChI=1S/C14H9Br2N3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
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
Curated by ChEMBL
| Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand |
J Med Chem 47: 1319-21 (2004)
Article DOI: 10.1021/jm034248l
BindingDB Entry DOI: 10.7270/Q29G5M7Q |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50152761
(3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...)Show InChI InChI=1S/C13H11BrClN3O4S/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)12(11(10)19)23(16,21)22/h1-6,19H,(H2,16,21,22)(H2,17,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells |
Bioorg Med Chem Lett 14: 4375-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.097
BindingDB Entry DOI: 10.7270/Q2SQ914M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521184
(CHEMBL4476783)Show SMILES CC(C)(C)c1cc(no1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r| Show InChI InChI=1S/C25H29N5O3/c1-23(2,3)20-11-21(28-33-20)30-15-25(32-22(30)31)9-5-8-24(4,13-25)14-29-16-27-18-7-6-17(12-26)10-19(18)29/h6-7,10-11,16H,5,8-9,13-15H2,1-4H3/t24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPV4 (unknown origin) |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505546
(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
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 min... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203016
(6-chloro-3-(3,4-dioxo-2-(phenylamino)cyclobut-1-en...)Show SMILES COCCNS(=O)(=O)c1c(Cl)ccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O Show InChI InChI=1S/C19H18ClN3O6S/c1-29-10-9-21-30(27,28)19-12(20)7-8-13(16(19)24)23-15-14(17(25)18(15)26)22-11-5-3-2-4-6-11/h2-8,21-24H,9-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203030
(3-[4-chloro-3-(4-ethyl-piperazine-1-sulfonyl)-2-hy...)Show SMILES CCCc1ccccc1Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N2CCN(CC)CC2)c(=O)c1=O Show InChI InChI=1S/C25H29ClN4O5S/c1-3-7-16-8-5-6-9-18(16)27-20-21(24(33)23(20)32)28-19-11-10-17(26)25(22(19)31)36(34,35)30-14-12-29(4-2)13-15-30/h5-6,8-11,27-28,31H,3-4,7,12-15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505546
(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
| 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 | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182419
(CHEMBL3819444)Show InChI InChI=1S/C21H24N2O2S/c1-14-6-4-5-7-19(14)20-11-16(9-8-15(20)2)22-21-23-17(13-26-21)10-18(12-24)25-3/h4-9,11,13,18,24H,10,12H2,1-3H3,(H,22,23) | PDB
MMDB
NCI pathway
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 | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50152759
(3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...)Show InChI InChI=1S/C14H11BrClN3O3/c15-7-3-1-2-4-9(7)18-14(22)19-10-6-5-8(16)11(12(10)20)13(17)21/h1-6,20H,(H2,17,21)(H2,18,19,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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
Curated by ChEMBL
| Assay Description
Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells |
Bioorg Med Chem Lett 14: 4375-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.097
BindingDB Entry DOI: 10.7270/Q2SQ914M |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203007
(3-(2-bromophenylamino)-4-(4-chloro-2-hydroxy-3-(4-...)Show SMILES CN1CCCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(Nc3ccccc3Br)c(=O)c2=O)c1O Show InChI InChI=1S/C22H22BrClN4O5S/c1-27-9-4-10-28(12-11-27)34(32,33)22-14(24)7-8-16(19(22)29)26-18-17(20(30)21(18)31)25-15-6-3-2-5-13(15)23/h2-3,5-8,25-26,29H,4,9-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50152760
(3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-N...)Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O Show InChI InChI=1S/C15H15BrClN3O4S/c1-20(2)25(23,24)14-10(17)7-8-12(13(14)21)19-15(22)18-11-6-4-3-5-9(11)16/h3-8,21H,1-2H3,(H2,18,19,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells |
Bioorg Med Chem Lett 14: 4375-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.097
BindingDB Entry DOI: 10.7270/Q2SQ914M |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505544
(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
| PC cid
PC sid
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 | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203035
(3-(2-bromo-phenylamino)-4-[4-fluoro-2-hydroxy-3-(4...)Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(F)ccc(Nc2c(Nc3ccccc3Br)c(=O)c2=O)c1O Show InChI InChI=1S/C21H20BrFN4O5S/c1-26-8-10-27(11-9-26)33(31,32)21-13(23)6-7-15(18(21)28)25-17-16(19(29)20(17)30)24-14-5-3-2-4-12(14)22/h2-7,24-25,28H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203036
(6-chloro-3-(3,4-dioxo-2-(phenylamino)cyclobut-1-en...)Show SMILES NC(=O)c1c(Cl)ccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O Show InChI InChI=1S/C17H12ClN3O4/c18-9-6-7-10(14(22)11(9)17(19)25)21-13-12(15(23)16(13)24)20-8-4-2-1-3-5-8/h1-7,20-22H,(H2,19,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50187002
(4-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)Show InChI InChI=1S/C17H11N3O3/c18-9-10-6-7-12(13(21)8-10)20-15-14(16(22)17(15)23)19-11-4-2-1-3-5-11/h1-8,19-21H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203003
(4-(2-(2-bromophenylamino)-3,4-dioxocyclobut-1-enyl...)Show InChI InChI=1S/C17H10BrN3O3/c18-10-3-1-2-4-11(10)20-14-15(17(24)16(14)23)21-12-6-5-9(8-19)7-13(12)22/h1-7,20-22H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203028
(3-(2-(o-toluidino)-3,4-dioxocyclobut-1-enylamino)-...)Show SMILES CN(C)S(=O)(=O)c1c(C)ccc(Nc2c(Nc3ccccc3C)c(=O)c2=O)c1O Show InChI InChI=1S/C20H21N3O5S/c1-11-7-5-6-8-13(11)21-15-16(19(26)18(15)25)22-14-10-9-12(2)20(17(14)24)29(27,28)23(3)4/h5-10,21-22,24H,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203003
(4-(2-(2-bromophenylamino)-3,4-dioxocyclobut-1-enyl...)Show InChI InChI=1S/C17H10BrN3O3/c18-10-3-1-2-4-11(10)20-14-15(17(24)16(14)23)21-12-6-5-9(8-19)7-13(12)22/h1-7,20-22H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182422
(CHEMBL3818650)Show SMILES COC(CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi... |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203006
(3-(4-chloro-2-hydroxy-3-(4-(piperidin-1-yl)piperid...)Show SMILES Oc1c(Nc2c(Nc3ccccc3)c(=O)c2=O)ccc(Cl)c1S(=O)(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C26H29ClN4O5S/c27-19-9-10-20(29-22-21(24(33)25(22)34)28-17-7-3-1-4-8-17)23(32)26(19)37(35,36)31-15-11-18(12-16-31)30-13-5-2-6-14-30/h1,3-4,7-10,18,28-29,32H,2,5-6,11-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521188
(CHEMBL4467225)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=N)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(22,26)17-9-23(10-18(17,25)11-24)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,22,24-25H,9-11H2/t17-,18+,29?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203025
(3-(4-chloro-2-hydroxy-3-(4-methyl-1,4-diazepan-1-y...)Show SMILES CN1CCCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(Nc3ccccc3Cl)c(=O)c2=O)c1O Show InChI InChI=1S/C22H22Cl2N4O5S/c1-27-9-4-10-28(12-11-27)34(32,33)22-14(24)7-8-16(19(22)29)26-18-17(20(30)21(18)31)25-15-6-3-2-5-13(15)23/h2-3,5-8,25-26,29H,4,9-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521187
(CHEMBL4441860)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(nc1C(F)(F)F)C#N |r| Show InChI InChI=1S/C18H15ClF3N3O6S2/c19-11-1-4-13(5-2-11)32(28,29)15-8-25(9-17(15,27)10-26)33(30,31)14-6-3-12(7-23)24-16(14)18(20,21)22/h1-6,15,26-27H,8-10H2/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203012
(1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea ...)Show InChI InChI=1S/C13H10BrN3O4/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18/h1-7,18H,(H2,15,16,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50140795
(1-(2-Bromo-phenyl)-3-(3-chloro-4-cyano-2-hydroxy-p...)Show InChI InChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand |
J Med Chem 47: 1319-21 (2004)
Article DOI: 10.1021/jm034248l
BindingDB Entry DOI: 10.7270/Q29G5M7Q |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50187001
(3-(2-hydroxy-4-nitrophenylamino)-4-(phenylamino)cy...)Show SMILES Oc1cc(ccc1Nc1c(Nc2ccccc2)c(=O)c1=O)[N+]([O-])=O Show InChI InChI=1S/C16H11N3O5/c20-12-8-10(19(23)24)6-7-11(12)18-14-13(15(21)16(14)22)17-9-4-2-1-3-5-9/h1-8,17-18,20H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521193
(CHEMBL4468326)Show SMILES O[C@H]1CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C17H14Cl2N2O5S2/c18-12-3-6-16(14(19)7-12)28(25,26)21-9-15(22)17(10-21)27(23,24)13-4-1-11(8-20)2-5-13/h1-7,15,17,22H,9-10H2/t15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 min... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50140796
(1-(2-Bromo-phenyl)-3-(4-cyano-2-hydroxy-phenyl)-ur...)Show InChI InChI=1S/C14H10BrN3O2/c15-10-3-1-2-4-11(10)17-14(20)18-12-6-5-9(8-16)7-13(12)19/h1-7,19H,(H2,17,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand |
J Med Chem 47: 1319-21 (2004)
Article DOI: 10.1021/jm034248l
BindingDB Entry DOI: 10.7270/Q29G5M7Q |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50140796
(1-(2-Bromo-phenyl)-3-(4-cyano-2-hydroxy-phenyl)-ur...)Show InChI InChI=1S/C14H10BrN3O2/c15-10-3-1-2-4-11(10)17-14(20)18-12-6-5-9(8-16)7-13(12)19/h1-7,19H,(H2,17,18,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203026
(3-[2-hydroxy-3-(4-methyl-piperazine-1-carbonyl)-ph...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O Show InChI InChI=1S/C22H22N4O4/c1-25-10-12-26(13-11-25)22(30)15-8-5-9-16(19(15)27)24-18-17(20(28)21(18)29)23-14-6-3-2-4-7-14/h2-9,23-24,27H,10-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
Platelet-activating factor acetylhydrolase
(Homo sapiens (Human)) | BDBM50182421
(CHEMBL3817896)Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1 Show InChI InChI=1S/C23H29N3O3S/c1-15-6-4-5-7-19(15)20-12-21(22(10-16(20)2)29-9-8-24)26-23-25-17(14-30-23)11-18(13-27)28-3/h4-7,10,12,14,18,27H,8-9,11,13,24H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mi... |
J Med Chem 59: 5356-67 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50203017
(3-(2-bromophenylamino)-4-(4-chloro-2-hydroxy-3-(py...)Show SMILES Oc1c(Nc2c(Nc3ccccc3Br)c(=O)c2=O)ccc(Cl)c1C(=O)N1CCCC1 Show InChI InChI=1S/C21H17BrClN3O4/c22-11-5-1-2-6-13(11)24-16-17(20(29)19(16)28)25-14-8-7-12(23)15(18(14)27)21(30)26-9-3-4-10-26/h1-2,5-8,24-25,27H,3-4,9-10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells |
Bioorg Med Chem Lett 17: 1713-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC |
More data for this
Ligand-Target Pair | |
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