BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 331 hits with Last Name = 'van lommen' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376815
PNG
(CHEMBL259563)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cccc2ccccc12
Show InChI InChI=1/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-10-15-23-12-7-8-16-24(23)27/h7-10,12-16,18,20,28H,5-6,11,17,19H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376793
PNG
(CHEMBL259769)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.90n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376803
PNG
(CHEMBL262330)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2cccc(c2C1)C(F)(F)F
Show InChI InChI=1/C30H33F3N2O/c1-4-19-9-6-10-20(5-2)28(19)25-17-27(36-3)29-24(34-25)13-8-14-26(29)35-16-15-21-11-7-12-23(22(21)18-35)30(31,32)33/h6-7,9-12,17,26H,4-5,8,13-16,18H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.70n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376802
PNG
(CHEMBL258658)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2ccccc2C1
Show InChI InChI=1/C29H34N2O/c1-4-20-12-8-13-21(5-2)28(20)25-18-27(32-3)29-24(30-25)14-9-15-26(29)31-17-16-22-10-6-7-11-23(22)19-31/h6-8,10-13,18,26H,4-5,9,14-17,19H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376817
PNG
(CHEMBL259643)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C30H32N2O/c1-4-21-12-6-8-15-23(21)26-20-29(33-3)30-25(31-26)17-11-19-28(30)32(5-2)27-18-10-14-22-13-7-9-16-24(22)27/h6-10,12-16,18,20,28H,4-5,11,17,19H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
86n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376795
PNG
(CHEMBL260176)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(CCO)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2O2/c1-4-22-12-8-13-23(5-2)31(22)27-21-30(36-3)32-26(33-27)16-10-18-29(32)34(19-20-35)28-17-9-14-24-11-6-7-15-25(24)28/h6-9,11-15,17,21,29,35H,4-5,10,16,18-20H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
180n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376831
PNG
(CHEMBL410032)
Show SMILES CCN(C1CCCc2nc(cc(Cl)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C31H33ClN2/c1-4-21-13-9-14-22(5-2)30(21)27-20-25(32)31-26(33-27)17-11-19-29(31)34(6-3)28-18-10-15-23-12-7-8-16-24(23)28/h7-10,12-16,18,20,29H,4-6,11,17,19H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
180n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376824
PNG
(CHEMBL408458)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1cccc2ccccc12)c1cccc2ccccc12
Show InChI InChI=1/C32H30N2O/c1-3-34(29-19-9-14-23-12-5-7-16-25(23)29)30-20-10-18-27-32(30)31(35-2)21-28(33-27)26-17-8-13-22-11-4-6-15-24(22)26/h4-9,11-17,19,21,30H,3,10,18,20H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
370n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50238586
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
Show InChI InChI=1/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
680n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376818
PNG
(CHEMBL259984)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(OC)cccc1OC)c1cccc2ccccc12
Show InChI InChI=1/C30H32N2O3/c1-5-32(24-15-8-12-20-11-6-7-13-21(20)24)25-16-9-14-22-29(25)28(35-4)19-23(31-22)30-26(33-2)17-10-18-27(30)34-3/h6-8,10-13,15,17-19,25H,5,9,14,16H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376816
PNG
(CHEMBL260175)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1F)c1cccc2ccccc12
Show InChI InChI=1/C28H27FN2O/c1-3-31(25-16-8-11-19-10-4-5-12-20(19)25)26-17-9-15-23-28(26)27(32-2)18-24(30-23)21-13-6-7-14-22(21)29/h4-8,10-14,16,18,26H,3,9,15,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376797
PNG
(CHEMBL259639)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1/C28H28N2O/c1-3-30(25-17-9-14-20-11-7-8-15-22(20)25)26-18-10-16-23-28(26)27(31-2)19-24(29-23)21-12-5-4-6-13-21/h4-9,11-15,17,19,26H,3,10,16,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.30E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031743
PNG
(CHEMBL3360349)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCc3ccn(n3)-c3ccccc3)n2n1)C1CC1
Show InChI InChI=1S/C28H25N7O2/c36-26(29-17-15-22-16-18-34(32-22)23-5-2-1-3-6-23)20-11-9-19(10-12-20)24-7-4-8-25-30-28(33-35(24)25)31-27(37)21-13-14-21/h1-12,16,18,21H,13-15,17H2,(H,29,36)(H,31,33,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031745
PNG
(CHEMBL3360351 | US10206907, Compound 225)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNc4ccccc4CC#N)cc3)n2n1)C1CC1
Show InChI InChI=1S/C25H22N6O/c26-15-14-18-4-1-2-5-21(18)27-16-17-8-10-19(11-9-17)22-6-3-7-23-28-25(30-31(22)23)29-24(32)20-12-13-20/h1-11,20,27H,12-14,16H2,(H,29,30,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031760
PNG
(CHEMBL3360330)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccc(NC(C)=O)cc3)nn12
Show InChI InChI=1S/C21H19N5O2/c1-14(27)22-16-8-10-17(11-9-16)23-21-24-20-5-3-4-19(26(20)25-21)15-6-12-18(28-2)13-7-15/h3-13H,1-2H3,(H,22,27)(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176294
PNG
(US9688696, 9)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H25Cl2N7O/c1-15(2)33-23-20(14-27-33)28-22(30-23)16-6-8-17(9-7-16)31-10-12-32(13-11-31)24(34)29-21-18(25)4-3-5-19(21)26/h3-9,14-15H,10-13H2,1-2H3,(H,28,30)(H,29,34)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.46n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031744
PNG
(CHEMBL3360350)
Show SMILES OCc1cc(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)ccc1O
Show InChI InChI=1S/C24H22N4O3/c29-14-19-13-16(6-11-21(19)30)12-15-4-7-17(8-5-15)20-2-1-3-22-25-24(27-28(20)22)26-23(31)18-9-10-18/h1-8,11,13,18,29-30H,9-10,12,14H2,(H,26,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176286
PNG
(US9688696, 1)
Show SMILES Cc1ccc(Cn2ncc3nc([nH]c23)-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C29H27Cl2N7O/c1-19-5-7-20(8-6-19)18-38-28-25(17-32-38)33-27(35-28)21-9-11-22(12-10-21)36-13-15-37(16-14-36)29(39)34-26-23(30)3-2-4-24(26)31/h2-12,17H,13-16,18H2,1H3,(H,33,35)(H,34,39)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.91n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176337
PNG
(US9688696, 53)
Show SMILES Clc1cc(cc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2n(ncc2[nH]1)C1CCCC1)N1CCCC1
Show InChI InChI=1S/C30H34Cl2N8O/c31-24-17-23(37-11-3-4-12-37)18-25(32)27(24)35-30(41)39-15-13-38(14-16-39)21-9-7-20(8-10-21)28-34-26-19-33-40(29(26)36-28)22-5-1-2-6-22/h7-10,17-19,22H,1-6,11-16H2,(H,34,36)(H,35,41)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176338
PNG
(US9688696, 54)
Show SMILES Clc1cc(CN2CCCC2)cc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2cnn(-c3ccccc3)c2[nH]1
Show InChI InChI=1S/C32H32Cl2N8O/c33-26-18-22(21-39-12-4-5-13-39)19-27(34)29(26)37-32(43)41-16-14-40(15-17-41)24-10-8-23(9-11-24)30-36-28-20-35-42(31(28)38-30)25-6-2-1-3-7-25/h1-3,6-11,18-20H,4-5,12-17,21H2,(H,36,38)(H,37,43)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176339
PNG
(US9688696, 55)
Show SMILES CC(c1ccccc1)n1ncc2[nH]c(nc12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cc(cc1Cl)N1CCCC1
Show InChI InChI=1/C33H34Cl2N8O/c1-22(23-7-3-2-4-8-23)43-32-29(21-36-43)37-31(39-32)24-9-11-25(12-10-24)41-15-17-42(18-16-41)33(44)38-30-27(34)19-26(20-28(30)35)40-13-5-6-14-40/h2-4,7-12,19-22H,5-6,13-18H2,1H3,(H,37,39)(H,38,44)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031738
PNG
(CHEMBL3360355)
Show SMILES FC(F)(F)C(=O)NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C19H16F3N5O2/c20-19(21,22)17(29)23-10-11-4-6-12(7-5-11)14-2-1-3-15-24-18(26-27(14)15)25-16(28)13-8-9-13/h1-7,13H,8-10H2,(H,23,29)(H,25,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176340
PNG
(US9688696, 56)
Show SMILES Clc1cc(CN2CCCC2)cc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2cnn(Cc3ccccc3)c2[nH]1
Show InChI InChI=1S/C33H34Cl2N8O/c34-27-18-24(21-40-12-4-5-13-40)19-28(35)30(27)38-33(44)42-16-14-41(15-17-42)26-10-8-25(9-11-26)31-37-29-20-36-43(32(29)39-31)22-23-6-2-1-3-7-23/h1-3,6-11,18-20H,4-5,12-17,21-22H2,(H,37,39)(H,38,44)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031742
PNG
(CHEMBL3360348 | US10206907, Compound 59)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C19H19N5O3S/c25-18(13-4-5-13)21-19-20-17-3-1-2-16(24(17)22-19)12-6-8-14(9-7-12)23-28(26,27)15-10-11-15/h1-3,6-9,13,15,23H,4-5,10-11H2,(H,21,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176341
PNG
(US9688696, 57)
Show SMILES OCc1cc(Cl)c(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccn(CCc3ccccc3)n2)c(Cl)c1
Show InChI InChI=1S/C29H29Cl2N5O2/c30-25-18-22(20-37)19-26(31)28(25)32-29(38)35-16-14-34(15-17-35)24-8-6-23(7-9-24)27-11-13-36(33-27)12-10-21-4-2-1-3-5-21/h1-9,11,13,18-19,37H,10,12,14-17,20H2,(H,32,38)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176313
PNG
(US9688696, 28)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ncn(CCc2ccccc2)n1
Show InChI InChI=1S/C27H26Cl2N6O/c28-23-7-4-8-24(29)25(23)31-27(36)34-17-15-33(16-18-34)22-11-9-21(10-12-22)26-30-19-35(32-26)14-13-20-5-2-1-3-6-20/h1-12,19H,13-18H2,(H,31,36)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 25n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103737
PNG
(US10206907, Compound 234 | US8563545, 11)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031804
PNG
(CHEMBL3360341)
Show SMILES CCOc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C18H18N4O2/c1-2-24-14-10-8-12(9-11-14)15-4-3-5-16-19-18(21-22(15)16)20-17(23)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H,20,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376793
PNG
(CHEMBL259769)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
Jak1 protein


(Rattus norvegicus)
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
PDB

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of rat JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176293
PNG
(US9688696, 8)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H26Cl2N6O/c1-16(2)33-25-22(15-28-33)29-24(30-25)17-6-8-18(9-7-17)31-10-12-32(13-11-31)23(34)14-19-20(26)4-3-5-21(19)27/h3-9,15-16H,10-14H2,1-2H3,(H,29,30)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176314
PNG
(US9688696, 29)
Show SMILES COc1ccc(Cn2cnc(n2)-c2ccc(cc2)N2CCN(CC2)C(=O)Nc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C27H26Cl2N6O2/c1-37-22-11-5-19(6-12-22)17-35-18-30-26(32-35)20-7-9-21(10-8-20)33-13-15-34(16-14-33)27(36)31-25-23(28)3-2-4-24(25)29/h2-12,18H,13-17H2,1H3,(H,31,36)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176315
PNG
(US9688696, 30)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ncn(CCCc2ccccc2)n1
Show InChI InChI=1S/C28H28Cl2N6O/c29-24-9-4-10-25(30)26(24)32-28(37)35-18-16-34(17-19-35)23-13-11-22(12-14-23)27-31-20-36(33-27)15-5-8-21-6-2-1-3-7-21/h1-4,6-7,9-14,20H,5,8,15-19H2,(H,32,37)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376833
PNG
(CHEMBL258797)
Show SMILES CCN(C1CCCc2nc(cc(OC3CCCC3)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C36H42N2O/c1-4-25-15-11-16-26(5-2)35(25)31-24-34(39-28-18-8-9-19-28)36-30(37-31)21-13-23-33(36)38(6-3)32-22-12-17-27-14-7-10-20-29(27)32/h7,10-12,14-17,20,22,24,28,33H,4-6,8-9,13,18-19,21,23H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031740
PNG
(CHEMBL3360357 | US10206907, Compound 304)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
Show InChI InChI=1/C21H23N5O3S/c27-20(16-8-9-16)24-21-23-19-3-1-2-18(26(19)25-21)15-6-4-14(5-7-15)12-22-17-10-11-30(28,29)13-17/h1-7,16-17,22H,8-13H2,(H,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176316
PNG
(US9688696, 31)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1nnc(CCc2ccccc2)o1
Show InChI InChI=1S/C27H25Cl2N5O2/c28-22-7-4-8-23(29)25(22)30-27(35)34-17-15-33(16-18-34)21-12-10-20(11-13-21)26-32-31-24(36-26)14-9-19-5-2-1-3-6-19/h1-8,10-13H,9,14-18H2,(H,30,35)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 41n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176342
PNG
(US9688696, 58)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cc(CN2CCCC2)cc1Cl
Show InChI InChI=1S/C29H34Cl2N8O/c1-19(2)39-28-25(17-32-39)33-27(35-28)21-5-7-22(8-6-21)37-11-13-38(14-12-37)29(40)34-26-23(30)15-20(16-24(26)31)18-36-9-3-4-10-36/h5-8,15-17,19H,3-4,9-14,18H2,1-2H3,(H,33,35)(H,34,40)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 47n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376835
PNG
(CHEMBL261276)
Show SMILES CCOc1cc(nc2CCCC(N(CC)c3cccc4ccccc34)c12)-c1c(CC)cccc1CC
Show InChI InChI=1/C33H38N2O/c1-5-23-15-11-16-24(6-2)32(23)28-22-31(36-8-4)33-27(34-28)19-13-21-30(33)35(7-3)29-20-12-17-25-14-9-10-18-26(25)29/h9-12,14-18,20,22,30H,5-8,13,19,21H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031806
PNG
(CHEMBL3360343)
Show SMILES CCOc1ccc(cc1)-c1cccn2nc(NC(=O)C3CC3)nc12
Show InChI InChI=1S/C18H18N4O2/c1-2-24-14-9-7-12(8-10-14)15-4-3-11-22-16(15)19-18(21-22)20-17(23)13-5-6-13/h3-4,7-11,13H,2,5-6H2,1H3,(H,20,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176343
PNG
(US9688696, 59)
Show SMILES OCc1cc(Cl)c(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccn(CCCc3ccccc3)n2)c(Cl)c1
Show InChI InChI=1S/C30H31Cl2N5O2/c31-26-19-23(21-38)20-27(32)29(26)33-30(39)36-17-15-35(16-18-36)25-10-8-24(9-11-25)28-12-14-37(34-28)13-4-7-22-5-2-1-3-6-22/h1-3,5-6,8-12,14,19-20,38H,4,7,13,15-18,21H2,(H,33,39)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 74n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced pSTAT1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176350
PNG
(US9688696, 66)
Show SMILES CC(C)n1ncc2nc([nH]c12)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H26F3N7O/c1-16(2)35-23-21(15-29-35)30-22(32-23)17-7-9-18(10-8-17)33-11-13-34(14-12-33)24(36)31-20-6-4-3-5-19(20)25(26,27)28/h3-10,15-16H,11-14H2,1-2H3,(H,30,32)(H,31,36)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376832
PNG
(CHEMBL408432)
Show SMILES CCN(C1CCCc2nc(cc(SC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2S/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM176317
PNG
(US9688696, 32)
Show SMILES CCCCn1cnc(n1)-c1ccc(cc1)N1CCN(CC1)C(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H26Cl2N6O/c1-2-3-11-31-16-26-22(28-31)17-7-9-18(10-8-17)29-12-14-30(15-13-29)23(32)27-21-19(24)5-4-6-20(21)25/h4-10,16H,2-3,11-15H2,1H3,(H,27,32)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 83n/an/an/an/a7.425



Janssen Pharmaceutica N.V.

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 331 total )  |  Next  |  Last  >>
Jump to: