Found 523 hits with Last Name = 'winters' and Initial = 'mp' 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 |
|---|
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50012008
(CHEMBL3263286)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1COc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1cccc(c1)C(=O)NC |r| Show InChI InChI=1S/C30H34F3N3O4/c1-34-27(37)21-4-2-3-20(13-21)19-7-10-35(11-8-19)24-15-26-29(16-24,9-12-39-26)28(38)36-17-22-14-23(30(31,32)33)5-6-25(22)40-18-36/h2-6,13-14,19,24,26H,7-12,15-18H2,1H3,(H,34,37)/t24-,26-,29-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465788
(CHEMBL4292697)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(cc1)C#N)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C26H29N3O2/c1-25(2)15-20(16-26(3,4)31-25)21-14-23(19-12-10-18(17-27)11-13-19)29(28-21)22-8-6-7-9-24(22)30-5/h6-14,20H,15-16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
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 |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465792
(CHEMBL4279774)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465794
(CHEMBL4288564)Show SMILES CCN(CC)c1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C28H36ClN3O/c1-7-31(8-2)24-11-9-10-12-25(24)32-26(20-13-15-22(29)16-14-20)17-23(30-32)21-18-27(3,4)33-28(5,6)19-21/h9-17,21H,7-8,18-19H2,1-6H3 | PDB
UniProtKB/SwissProt
antibodypedia
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 |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50012003
(CHEMBL3263282)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N1CCC(CC1)c1ccccc1 |r| Show InChI InChI=1S/C28H32F3N3O2/c29-28(30,31)22-14-21-18-34(12-8-24(21)32-17-22)26(35)27-9-13-36-25(27)15-23(16-27)33-10-6-20(7-11-33)19-4-2-1-3-5-19/h1-5,14,17,20,23,25H,6-13,15-16,18H2/t23-,25-,27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465796
(CHEMBL4290426)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CCOC(C)(C)C1 Show InChI InChI=1S/C23H25ClN2O2/c1-23(2)15-17(12-13-28-23)19-14-21(16-8-10-18(24)11-9-16)26(25-19)20-6-4-5-7-22(20)27-3/h4-11,14,17H,12-13,15H2,1-3H3 | 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 |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465800
(CHEMBL4282095)Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C27H34N2O3/c1-7-31-21-14-12-19(13-15-21)24-16-22(20-17-26(2,3)32-27(4,5)18-20)28-29(24)23-10-8-9-11-25(23)30-6/h8-16,20H,7,17-18H2,1-6H3 | 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 |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011988
(CHEMBL3263270)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C24H31F3N2O4/c1-31-20-14-32-8-5-19(20)28-18-11-21-23(12-18,6-9-33-21)22(30)29-7-4-15-2-3-17(24(25,26)27)10-16(15)13-29/h2-3,10,18-21,28H,4-9,11-14H2,1H3/t18-,19?,20?,21-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM130511
(US8822460, 7 | US8822460, 9)Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F Show InChI InChI=1S/C24H31F3N2O4/c1-31-20-14-32-8-5-19(20)28-18-11-21-23(12-18,6-9-33-21)22(30)29-7-4-15-2-3-17(24(25,26)27)10-16(15)13-29/h2-3,10,18-21,28H,4-9,11-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations... |
US Patent US8822460 (2014)
BindingDB Entry DOI: 10.7270/Q208641R |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465791
(CHEMBL4289288)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1C[C@H](C)O[C@@H](C)C1 |r| Show InChI InChI=1S/C23H25ClN2O2/c1-15-12-18(13-16(2)28-15)20-14-22(17-8-10-19(24)11-9-17)26(25-20)21-6-4-5-7-23(21)27-3/h4-11,14-16,18H,12-13H2,1-3H3/t15-,16-/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 |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465798
(CHEMBL4278633)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C23H25ClN2O2/c1-15-12-18(13-16(2)28-15)20-14-22(17-8-10-19(24)11-9-17)26(25-20)21-6-4-5-7-23(21)27-3/h4-11,14-16,18H,12-13H2,1-3H3/t15-,16+,18+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465789
(CHEMBL4293756)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1=CC(C)(C)OC(C)(C)C1 |t:23| Show InChI InChI=1S/C25H27ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-15H,16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM130512
(US8822460, 8)Show SMILES FC(F)(F)c1ccc2CCN(Cc2c1)C(=O)C12CCOC1CC(C2)NC1CCOCC1 Show InChI InChI=1S/C23H29F3N2O3/c24-23(25,26)17-2-1-15-3-7-28(14-16(15)11-17)21(29)22-6-10-31-20(22)12-19(13-22)27-18-4-8-30-9-5-18/h1-2,11,18-20,27H,3-10,12-14H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations... |
US Patent US8822460 (2014)
BindingDB Entry DOI: 10.7270/Q208641R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274045
(3-[2-[2-(4-Cyano-phenyl)-2-oxo-ethyl]-5-(2-cyclohe...)Show SMILES CC(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(CC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C28H30N4O3/c1-18(28(35)21-5-3-2-4-6-21)22-11-12-24-23(15-22)31-27(32(24)14-13-26(30)34)16-25(33)20-9-7-19(17-29)8-10-20/h7-12,15,18,21H,2-6,13-14,16H2,1H3,(H2,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50275692
(CHEMBL528989 | N-(1-(3-methoxypropyl)-5-((phenylam...)Show SMILES COCCCn1c(NC(=O)c2ccno2)nc2cc(CNc3ccccc3)ccc12 Show InChI InChI=1S/C22H23N5O3/c1-29-13-5-12-27-19-9-8-16(15-23-17-6-3-2-4-7-17)14-18(19)25-22(27)26-21(28)20-10-11-24-30-20/h2-4,6-11,14,23H,5,12-13,15H2,1H3,(H,25,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of ITK (unknown origin) by DELPHIA assay |
Bioorg Med Chem Lett 18: 5541-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.016
BindingDB Entry DOI: 10.7270/Q2ZC82PX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274339
(CHEMBL485607 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1 Show InChI InChI=1S/C25H28BrN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274470
(CHEMBL485555 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(c3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)18-7-3-2-4-8-18)20-10-11-22-21(15-20)29-26(32(22)13-12-23(28)33)30-24(34)19-9-5-6-17(14-19)16-27/h5-6,9-11,14-15,18H,2-4,7-8,12-13H2,1H3,(H2,28,33)(H,29,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274471
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM130515
(US8822460, 11)Show SMILES CCC1CC2(CC(CC2O1)NC1CCOCC1OC)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F Show InChI InChI=1S/C25H34F3N3O4/c1-3-18-11-24(10-17(9-22(24)35-18)30-20-5-7-34-14-21(20)33-2)23(32)31-6-4-19-15(13-31)8-16(12-29-19)25(26,27)28/h8,12,17-18,20-22,30H,3-7,9-11,13-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations... |
US Patent US8822460 (2014)
BindingDB Entry DOI: 10.7270/Q208641R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274340
(CHEMBL483403 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1 Show InChI InChI=1S/C25H28ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h7-12,15,17H,2-6,13-14H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011821
(CHEMBL3263256)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CC(CC)O2)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC |r| Show InChI InChI=1S/C25H34F3N3O4/c1-3-18-11-24(10-17(9-22(24)35-18)30-20-5-7-34-14-21(20)33-2)23(32)31-6-4-19-15(13-31)8-16(12-29-19)25(26,27)28/h8,12,17-18,20-22,30H,3-7,9-11,13-14H2,1-2H3/t17-,18?,20?,21?,22-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274669
(CHEMBL485031 | N-(1-(3-(1H-imidazol-1-yl)propyl)-5...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C29H31N7O2/c1-34(28(38)23-6-3-2-4-7-23)24-12-13-26-25(18-24)32-29(36(26)16-5-15-35-17-14-31-20-35)33-27(37)22-10-8-21(19-30)9-11-22/h8-14,17-18,20,23H,2-7,15-16H2,1H3,(H,32,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50236304
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(Br)cc2c1CCNC(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H19BrFN3O3S/c24-16-8-11-21-20(14-16)19(22(27-21)15-6-9-17(25)10-7-15)12-13-26-23(29)28-32(30,31)18-4-2-1-3-5-18/h1-11,14,27H,12-13H2,(H2,26,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned CXCR2 by calcium flux FLIPR assay |
Bioorg Med Chem Lett 18: 1926-30 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.127
BindingDB Entry DOI: 10.7270/Q20P10V3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465786
(CHEMBL4283590)Show SMILES CCOc1ccc(cn1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C26H33N3O3/c1-7-31-24-13-12-18(17-27-24)22-14-20(19-15-25(2,3)32-26(4,5)16-19)28-29(22)21-10-8-9-11-23(21)30-6/h8-14,17,19H,7,15-16H2,1-6H3 | 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 |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274671
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-(3...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCCN3CCN(C)CC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C31H39N7O2/c1-35-17-19-37(20-18-35)15-6-16-38-28-14-13-26(36(2)30(40)25-7-4-3-5-8-25)21-27(28)33-31(38)34-29(39)24-11-9-23(22-32)10-12-24/h9-14,21,25H,3-8,15-20H2,1-2H3,(H,33,34,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274246
(CHEMBL485232 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccnc3)nc2c1 Show InChI InChI=1S/C24H28N6O3/c1-29(23(33)16-6-3-2-4-7-16)18-9-10-20-19(14-18)27-24(30(20)13-11-21(25)31)28-22(32)17-8-5-12-26-15-17/h5,8-10,12,14-16H,2-4,6-7,11,13H2,1H3,(H2,25,31)(H,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50236292
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned CXCR2 by calcium flux FLIPR assay |
Bioorg Med Chem Lett 18: 1926-30 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.127
BindingDB Entry DOI: 10.7270/Q20P10V3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274705
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-(3...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(=O)N3CCNCC3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C30H35N7O3/c1-35(29(40)23-5-3-2-4-6-23)24-11-12-26-25(19-24)33-30(34-28(39)22-9-7-21(20-31)8-10-22)37(26)16-13-27(38)36-17-14-32-15-18-36/h7-12,19,23,32H,2-6,13-18H2,1H3,(H,33,34,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465802
(CHEMBL4294178)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(C)nc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H31N3O2/c1-17-11-12-18(16-26-17)22-13-20(19-14-24(2,3)30-25(4,5)15-19)27-28(22)21-9-7-8-10-23(21)29-6/h7-13,16,19H,14-15H2,1-6H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274558
(4-cyano-N-(5-(N-methylcyclohexanecarboxamido)-1-ph...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCc3ccccc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C31H31N5O2/c1-35(30(38)25-10-6-3-7-11-25)26-16-17-28-27(20-26)33-31(36(28)19-18-22-8-4-2-5-9-22)34-29(37)24-14-12-23(21-32)13-15-24/h2,4-5,8-9,12-17,20,25H,3,6-7,10-11,18-19H2,1H3,(H,33,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50275651
(CHEMBL487357 | N-(5-((cyclohexyl(methyl)amino)meth...)Show SMILES COCCCn1c(NC(=O)c2cccnc2)nc2cc(CN(C)C3CCCCC3)ccc12 Show InChI InChI=1S/C25H33N5O2/c1-29(21-9-4-3-5-10-21)18-19-11-12-23-22(16-19)27-25(30(23)14-7-15-32-2)28-24(31)20-8-6-13-26-17-20/h6,8,11-13,16-17,21H,3-5,7,9-10,14-15,18H2,1-2H3,(H,27,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of ITK (unknown origin) by DELPHIA assay |
Bioorg Med Chem Lett 18: 5541-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.016
BindingDB Entry DOI: 10.7270/Q2ZC82PX |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465793
(CHEMBL4277584)Show SMILES COc1ccccc1-n1nc(cc1-c1csc(Cl)c1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C23H27ClN2O2S/c1-22(2)12-16(13-23(3,4)28-22)17-11-19(15-10-21(24)29-14-15)26(25-17)18-8-6-7-9-20(18)27-5/h6-11,14,16H,12-13H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011986
(CHEMBL3263268)Show SMILES [H][C@]1(C[C@@]2([H])OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N[C@H]1CCOC[C@H]1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18+,19-,20-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011990
(CHEMBL3263272)Show SMILES [H][C@@]12C[C@H](C[C@@]1(CCO2)C(=O)N1COc2ccc(cc2C1)C(F)(F)F)N[C@@]1([H])CCOC[C@H]1OC |r| Show InChI InChI=1S/C23H29F3N2O5/c1-30-19-12-31-6-4-17(19)27-16-9-20-22(10-16,5-7-32-20)21(29)28-11-14-8-15(23(24,25)26)2-3-18(14)33-13-28/h2-3,8,16-17,19-20,27H,4-7,9-13H2,1H3/t16-,17+,19-,20-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465801
(CHEMBL4291986)Show SMILES CC1(C)CC(CC(C)(C)O1)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccncc1 Show InChI InChI=1S/C23H26ClN3O/c1-22(2)14-17(15-23(3,4)28-22)20-13-21(16-5-7-18(24)8-6-16)27(26-20)19-9-11-25-12-10-19/h5-13,17H,14-15H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM130505
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations... |
US Patent US8822460 (2014)
BindingDB Entry DOI: 10.7270/Q208641R |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465795
(CHEMBL4285527)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1CCO[C@@H](C1)C(C)C |r| Show InChI InChI=1S/C24H27ClN2O2/c1-16(2)24-14-18(12-13-29-24)20-15-22(17-8-10-19(25)11-9-17)27(26-20)21-6-4-5-7-23(21)28-3/h4-11,15-16,18,24H,12-14H2,1-3H3/t18-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274709
(CHEMBL458787 | N-(1-(3-amino-3-oxopropyl)-5-(N-eth...)Show SMILES CCN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C27H30N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h8-13,16,20H,2-7,14-15H2,1H3,(H2,29,34)(H,30,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274005
(CHEMBL516958 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C24H24N6O3/c1-29(23(33)17-3-2-4-17)18-9-10-20-19(13-18)27-24(30(20)12-11-21(26)31)28-22(32)16-7-5-15(14-25)6-8-16/h5-10,13,17H,2-4,11-12H2,1H3,(H2,26,31)(H,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50126413
(CHEMBL287478 | N*1*-[7-(4-Morpholin-4-yl-phenyl)-[...)Show InChI InChI=1S/C21H25N5O/c22-8-2-10-24-21-18-3-1-9-23-20(18)15-19(25-21)16-4-6-17(7-5-16)26-11-13-27-14-12-26/h1,3-7,9,15H,2,8,10-14,22H2,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against spleen tyrosine kinase (SYK) |
Bioorg Med Chem Lett 13: 1415-8 (2003)
BindingDB Entry DOI: 10.7270/Q2MC8ZCJ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011987
(CHEMBL3263269)Show SMILES [H][C@]1(C[C@@]2([H])OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N[C@@H]1CCOC[C@@H]1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18-,19+,20-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 expressed in THP1 cells assessed as inhibition of MCP-1 induced chemotaxis |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274338
(CHEMBL483397 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(Br)c3)nc2c1 Show InChI InChI=1S/C25H28BrN5O3/c1-30(24(34)16-6-3-2-4-7-16)19-10-11-21-20(15-19)28-25(31(21)13-12-22(27)32)29-23(33)17-8-5-9-18(26)14-17/h5,8-11,14-16H,2-4,6-7,12-13H2,1H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM130511
(US8822460, 7 | US8822460, 9)Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F Show InChI InChI=1S/C24H31F3N2O4/c1-31-20-14-32-8-5-19(20)28-18-11-21-23(12-18,6-9-33-21)22(30)29-7-4-15-2-3-17(24(25,26)27)10-16(15)13-29/h2-3,10,18-21,28H,4-9,11-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations... |
US Patent US8822460 (2014)
BindingDB Entry DOI: 10.7270/Q208641R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274631
(4-cyano-N-(1-(3-(methylamino)-3-oxopropyl)-5-(N-me...)Show SMILES CNC(=O)CCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(ccc12)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C27H30N6O3/c1-29-24(34)14-15-33-23-13-12-21(32(2)26(36)20-6-4-3-5-7-20)16-22(23)30-27(33)31-25(35)19-10-8-18(17-28)9-11-19/h8-13,16,20H,3-7,14-15H2,1-2H3,(H,29,34)(H,30,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274341
(CHEMBL520312 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C26H31N5O4/c1-30(25(34)17-7-4-3-5-8-17)19-11-12-22-21(16-19)28-26(31(22)14-13-23(27)32)29-24(33)18-9-6-10-20(15-18)35-2/h6,9-12,15-17H,3-5,7-8,13-14H2,1-2H3,(H2,27,32)(H,28,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274247
(CHEMBL485233 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccco3)nc2c1 Show InChI InChI=1S/C23H27N5O4/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50274206
(CHEMBL485565 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1 Show InChI InChI=1S/C22H26N6O4/c1-27(21(31)14-5-3-2-4-6-14)15-7-8-17-16(13-15)25-22(28(17)12-10-19(23)29)26-20(30)18-9-11-24-32-18/h7-9,11,13-14H,2-6,10,12H2,1H3,(H2,23,29)(H,25,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson
Curated by ChEMBL
| Assay Description
Inhibition of ITK by DELFIA assay |
Bioorg Med Chem Lett 18: 5545-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.015
BindingDB Entry DOI: 10.7270/Q2M32VMD |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465797
(CHEMBL4280661)Show SMILES COc1ccccc1-n1nc(cc1-c1ccnc(Cl)c1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C24H28ClN3O2/c1-23(2)14-17(15-24(3,4)30-23)18-13-20(16-10-11-26-22(25)12-16)28(27-18)19-8-6-7-9-21(19)29-5/h6-13,17H,14-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50011987
(CHEMBL3263269)Show SMILES [H][C@]1(C[C@@]2([H])OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)N[C@@H]1CCOC[C@@H]1OC |r| Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18-,19+,20-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, LLC
Curated by ChEMBL
| Assay Description
Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells |
Bioorg Med Chem Lett 24: 2137-40 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.036
BindingDB Entry DOI: 10.7270/Q2TH8P7P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM130505
(US8822460, 1 | US8822460, 2 | US8822460, 3 | US882...)Show SMILES COC1COCCC1NC1CC2OCCC2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations... |
US Patent US8822460 (2014)
BindingDB Entry DOI: 10.7270/Q208641R |
More data for this
Ligand-Target Pair | |
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