Found 180 hits with Last Name = 'willette' 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 |
|---|
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126595
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta5 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50126595
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50078714
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12 Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50078714
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12 Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaIIb-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50126594
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126597
(4-{4-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-pheny...)Show SMILES CNc1cccc(CCOc2ccc(C[C@@H](CC(O)=O)c3ccccc3)cc2)n1 Show InChI InChI=1S/C24H26N2O3/c1-25-23-9-5-8-21(26-23)14-15-29-22-12-10-18(11-13-22)16-20(17-24(27)28)19-6-3-2-4-7-19/h2-13,20H,14-17H2,1H3,(H,25,26)(H,27,28)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126596
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126594
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta5 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126598
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)Show SMILES OC(=O)C[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50078714
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12 Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaIIb-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50126594
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50126595
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta5 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232815
(CHEMBL4104743)Show SMILES CCOc1ccc2c(C(=O)NC3(CC3)c3ccccc3)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C39H43F3N4O2/c1-2-48-31-14-15-32-34(25-31)43-36(27-10-9-13-29(24-27)39(40,41)42)33(26-45-22-16-30(17-23-45)46-20-7-4-8-21-46)35(32)37(47)44-38(18-19-38)28-11-5-3-6-12-28/h3,5-6,9-15,24-25,30H,2,4,7-8,16-23,26H2,1H3,(H,44,47) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232797
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232796
(CHEMBL4094483)Show SMILES COc1ccc2c(C(=O)NC3(CC3)c3ccccc3)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C38H41F3N4O2/c1-47-30-13-14-31-33(24-30)42-35(26-9-8-12-28(23-26)38(39,40)41)32(25-44-21-15-29(16-22-44)45-19-6-3-7-20-45)34(31)36(46)43-37(17-18-37)27-10-4-2-5-11-27/h2,4-5,8-14,23-24,29H,3,6-7,15-22,25H2,1H3,(H,43,46) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232813
(CHEMBL4097859)Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C37H39F3N4O/c38-37(39,40)28-13-9-10-26(24-28)34-31(25-43-22-16-29(17-23-43)44-20-7-2-8-21-44)33(30-14-5-6-15-32(30)41-34)35(45)42-36(18-19-36)27-11-3-1-4-12-27/h1,3-6,9-15,24,29H,2,7-8,16-23,25H2,(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232804
(CHEMBL4087716)Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H36F6N4O/c37-35(38,39)26-13-9-12-25(22-26)32-29(23-45-20-16-27(17-21-45)46-18-7-2-8-19-46)31(28-14-5-6-15-30(28)43-32)34(47)44-33(36(40,41)42)24-10-3-1-4-11-24/h1,3-6,9-15,22,27,33H,2,7-8,16-21,23H2,(H,44,47)/t33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232790
(CHEMBL4084542)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H39F3N4O/c1-25(26-11-4-2-5-12-26)40-35(44)33-30-15-6-7-16-32(30)41-34(27-13-10-14-28(23-27)36(37,38)39)31(33)24-42-21-17-29(18-22-42)43-19-8-3-9-20-43/h2,4-7,10-16,23,25,29H,3,8-9,17-22,24H2,1H3,(H,40,44)/t25-/m0/s1 | PDB
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Reactome pathway
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232800
(CHEMBL4103166)Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccc(Br)cc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-30-28(21-26)31(34(48)45-33(36(41,42)43)23-8-3-1-4-9-23)29(32(44-30)24-10-7-11-25(20-24)35(38,39)40)22-46-18-14-27(15-19-46)47-16-5-2-6-17-47/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232799
(CHEMBL4078886)Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2cc(Br)ccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-28-30(21-26)44-32(24-10-7-11-25(20-24)35(38,39)40)29(22-46-18-14-27(15-19-46)47-16-5-2-6-17-47)31(28)34(48)45-33(36(41,42)43)23-8-3-1-4-9-23/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 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 rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232803
(CHEMBL4068023)Show SMILES CCOc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C38H40F6N4O2/c1-2-50-29-14-15-30-32(23-29)45-34(26-12-9-13-27(22-26)37(39,40)41)31(24-47-20-16-28(17-21-47)48-18-7-4-8-19-48)33(30)36(49)46-35(38(42,43)44)25-10-5-3-6-11-25/h3,5-6,9-15,22-23,28,35H,2,4,7-8,16-21,24H2,1H3,(H,46,49)/t35-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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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 rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232809
(CHEMBL4065154)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCOCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C35H37F3N4O2/c1-24(25-8-3-2-4-9-25)39-34(43)32-29-12-5-6-13-31(29)40-33(26-10-7-11-27(22-26)35(36,37)38)30(32)23-41-16-14-28(15-17-41)42-18-20-44-21-19-42/h2-13,22,24,28H,14-21,23H2,1H3,(H,39,43)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14047
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38) | PDB
MMDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Short transient receptor potential channel 6
(Homo sapiens (Human)) | BDBM50439218
(CHEMBL2418809)Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1Cl Show InChI InChI=1S/C18H19ClFN3O3S/c1-9-4-3-5-23(10(9)2)17(24)15-16(19)27-18(22-15)21-12-7-14-13(6-11(12)20)25-8-26-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay |
Bioorg Med Chem Lett 23: 4979-84 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.047
BindingDB Entry DOI: 10.7270/Q2319X9H |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232798
(CHEMBL4095413)Show SMILES COc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C37H38F6N4O2/c1-49-28-13-14-29-31(22-28)44-33(25-11-8-12-26(21-25)36(38,39)40)30(23-46-19-15-27(16-20-46)47-17-6-3-7-18-47)32(29)35(48)45-34(37(41,42)43)24-9-4-2-5-10-24/h2,4-5,8-14,21-22,27,34H,3,6-7,15-20,23H2,1H3,(H,45,48)/t34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232805
(CHEMBL4069979)Show SMILES CC[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C37H41F3N4O/c1-2-32(26-12-5-3-6-13-26)42-36(45)34-30-16-7-8-17-33(30)41-35(27-14-11-15-28(24-27)37(38,39)40)31(34)25-43-22-18-29(19-23-43)44-20-9-4-10-21-44/h3,5-8,11-17,24,29,32H,2,4,9-10,18-23,25H2,1H3,(H,42,45)/t32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
MMDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232802
(CHEMBL4105593)Show SMILES FC(F)(F)[C@@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H36F6N4O/c37-35(38,39)26-13-9-12-25(22-26)32-29(23-45-20-16-27(17-21-45)46-18-7-2-8-19-46)31(28-14-5-6-15-30(28)43-32)34(47)44-33(36(40,41)42)24-10-3-1-4-11-24/h1,3-6,9-15,22,27,33H,2,7-8,16-21,23H2,(H,44,47)/t33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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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 rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50232795
(CHEMBL4092276)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H40N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h2-3,5-10,13-18,26,29H,4,11-12,19-25H2,1H3,(H,36,40)/t26-/m0/s1 | PDB
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PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of NK3 receptor (unknown origin) by FLIPR assay |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232791
(CHEMBL4062863)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C35H39ClN4O/c1-25(26-11-4-2-5-12-26)37-35(41)33-30-15-6-7-16-32(30)38-34(27-13-10-14-28(36)23-27)31(33)24-39-21-17-29(18-22-39)40-19-8-3-9-20-40/h2,4-7,10-16,23,25,29H,3,8-9,17-22,24H2,1H3,(H,37,41)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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PC sid
UniChem
Similars
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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 rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50026798
(CHEMBL1956072 | SB-742548)Show SMILES Cl.CCn1c(nc2cncc(-c3ccc(CN)cc3)c12)-c1nonc1N Show InChI InChI=1S/C17H17N7O.ClH/c1-2-24-15-12(11-5-3-10(7-18)4-6-11)8-20-9-13(15)21-17(24)14-16(19)23-25-22-14;/h3-6,8-9H,2,7,18H2,1H3,(H2,19,23);1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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PC sid
UniChem
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14032
(4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-ox...)Show InChI InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15) | PDB
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50026798
(CHEMBL1956072 | SB-742548)Show SMILES Cl.CCn1c(nc2cncc(-c3ccc(CN)cc3)c12)-c1nonc1N Show InChI InChI=1S/C17H17N7O.ClH/c1-2-24-15-12(11-5-3-10(7-18)4-6-11)8-20-9-13(15)21-17(24)14-16(19)23-25-22-14;/h3-6,8-9H,2,7,18H2,1H3,(H2,19,23);1H | PDB
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK2 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232803
(CHEMBL4068023)Show SMILES CCOc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C38H40F6N4O2/c1-2-50-29-14-15-30-32(23-29)45-34(26-12-9-13-27(22-26)37(39,40)41)31(24-47-20-16-28(17-21-47)48-18-7-4-8-19-48)33(30)36(49)46-35(38(42,43)44)25-10-5-3-6-11-25/h3,5-6,9-15,22-23,28,35H,2,4,7-8,16-21,24H2,1H3,(H,46,49)/t35-/m1/s1 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM14032
(4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-ox...)Show InChI InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15) | PDB
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 sub... |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232811
(CHEMBL4105323)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C36H42N4O/c1-26-12-11-15-29(24-26)35-32(25-39-22-18-30(19-23-39)40-20-9-4-10-21-40)34(31-16-7-8-17-33(31)38-35)36(41)37-27(2)28-13-5-3-6-14-28/h3,5-8,11-17,24,27,30H,4,9-10,18-23,25H2,1-2H3,(H,37,41)/t27-/m0/s1 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-5
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MSK1 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232794
(CHEMBL4082016)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C35H39ClN4O/c1-25(26-10-4-2-5-11-26)37-35(41)33-30-12-6-7-13-32(30)38-34(27-14-16-28(36)17-15-27)31(33)24-39-22-18-29(19-23-39)40-20-8-3-9-21-40/h2,4-7,10-17,25,29H,3,8-9,18-24H2,1H3,(H,37,41)/t25-/m0/s1 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232793
(CHEMBL4100026)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccc(cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H39F3N4O/c1-25(26-10-4-2-5-11-26)40-35(44)33-30-12-6-7-13-32(30)41-34(27-14-16-28(17-15-27)36(37,38)39)31(33)24-42-22-18-29(19-23-42)43-20-8-3-9-21-43/h2,4-7,10-17,25,29H,3,8-9,18-24H2,1H3,(H,40,44)/t25-/m0/s1 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Short transient receptor potential channel 6
(Homo sapiens (Human)) | BDBM50439217
(CHEMBL2418811)Show SMILES C[C@H]1CCCN([C@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r| Show InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m0/s1 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay |
Bioorg Med Chem Lett 23: 4979-84 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.047
BindingDB Entry DOI: 10.7270/Q2319X9H |
More data for this
Ligand-Target Pair | |
Short transient receptor potential channel 6
(Homo sapiens (Human)) | BDBM50439220
(CHEMBL2418807)Show InChI InChI=1S/C18H21N3O3S/c1-11-4-3-7-21(12(11)2)17(22)14-9-25-18(20-14)19-13-5-6-15-16(8-13)24-10-23-15/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,20) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay |
Bioorg Med Chem Lett 23: 4979-84 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.047
BindingDB Entry DOI: 10.7270/Q2319X9H |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Mus musculus) | BDBM50192821
(CHEMBL2133556)Show SMILES Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced current at holding potential of -40 mV by W... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232816
(CHEMBL4097174)Show SMILES CC(C)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C38H43F3N4O/c1-26(2)35(27-12-5-3-6-13-27)43-37(46)34-31-16-7-8-17-33(31)42-36(28-14-11-15-29(24-28)38(39,40)41)32(34)25-44-22-18-30(19-23-44)45-20-9-4-10-21-45/h3,5-8,11-17,24,26,30,35H,4,9-10,18-23,25H2,1-2H3,(H,43,46)/t35-/m0/s1 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Short transient receptor potential channel 6
(Homo sapiens (Human)) | BDBM50439219
(CHEMBL2418808)Show InChI InChI=1S/C19H22FN3O3S/c1-10-5-4-6-23(11(10)2)18(24)17-12(3)27-19(22-17)21-14-8-16-15(7-13(14)20)25-9-26-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay |
Bioorg Med Chem Lett 23: 4979-84 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.047
BindingDB Entry DOI: 10.7270/Q2319X9H |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126595
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
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GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Short transient receptor potential channel 6
(Homo sapiens (Human)) | BDBM50439213
(CHEMBL2418815)Show SMILES CC1N(CCc2ccccc12)C(=O)c1nc(Nc2ccc3OCOc3c2)sc1C Show InChI InChI=1S/C22H21N3O3S/c1-13-17-6-4-3-5-15(17)9-10-25(13)21(26)20-14(2)29-22(24-20)23-16-7-8-18-19(11-16)28-12-27-18/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay |
Bioorg Med Chem Lett 23: 4979-84 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.047
BindingDB Entry DOI: 10.7270/Q2319X9H |
More data for this
Ligand-Target Pair | |
Short transient receptor potential channel 3
(Homo sapiens (Human)) | BDBM50439218
(CHEMBL2418809)Show SMILES CC1CCCN(C1C)C(=O)c1nc(Nc2cc3OCOc3cc2F)sc1Cl Show InChI InChI=1S/C18H19ClFN3O3S/c1-9-4-3-5-23(10(9)2)17(24)15-16(19)27-18(22-15)21-12-7-14-13(6-11(12)20)25-8-26-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay |
Bioorg Med Chem Lett 23: 4979-84 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.047
BindingDB Entry DOI: 10.7270/Q2319X9H |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM50365218
(CHEMBL1956071 | GSK screening, 29)Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1 | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of RSK1 |
J Pharmacol Exp Ther 320: 89-98 (2006)
Article DOI: 10.1124/jpet.106.110635
BindingDB Entry DOI: 10.7270/Q2DV1KBV |
More data for this
Ligand-Target Pair | |
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