Found 315 hits with Last Name = 'vandervoort' and Initial = 'n' 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 |
|---|
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50187686
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Competitive inhibition of human ATX using LPC (16:0) as substrate after 30 mins by Michaelis-Menten plot analysis |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548385
(Glpg-1205 | Glpg1205)Show SMILES O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-9-(2-phenylethyl)-2-(2-pyrazin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one from recombinant FLAG-tagged GPR84 (un... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548398
(CHEMBL3718309)Show SMILES OC(C#Cc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)nc3=O)c1)c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM194644
(US9206139, 3)Show SMILES FC(F)(F)c1ccc(C[C@@H](C2CC2)C(=O)NC[C@]2(NC(=O)NC2=O)C2CC2)cc1 |r| Show InChI InChI=1S/C20H22F3N3O3/c21-20(22,23)14-5-1-11(2-6-14)9-15(12-3-4-12)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h1-2,5-6,12-13,15H,3-4,7-10H2,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS5 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257775
(CHEMBL4100462)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C24H20FN5S/c1-3-20-23(29(2)24-28-21(15-31-24)16-6-9-19(25)10-7-16)30-14-18(8-11-22(30)27-20)17-5-4-12-26-13-17/h4-15H,3H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM194644
(US9206139, 3)Show SMILES FC(F)(F)c1ccc(C[C@@H](C2CC2)C(=O)NC[C@]2(NC(=O)NC2=O)C2CC2)cc1 |r| Show InChI InChI=1S/C20H22F3N3O3/c21-20(22,23)14-5-1-11(2-6-14)9-15(12-3-4-12)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h1-2,5-6,12-13,15H,3-4,7-10H2,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS4 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548387
(CHEMBL4794652)Show SMILES O=c1nc(OCCOc2cnccn2)cc2-c3ccc(CCc4ccccc4)cc3CCn12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257807
(CHEMBL4073638)Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C28H31ClN6O3S/c1-4-22-26(33(3)27-32-23(17-39-27)18-6-9-20(29)10-7-18)35-16-19(8-11-24(35)31-22)25(36)30-21-12-14-34(15-13-21)28(37)38-5-2/h6-11,16-17,21H,4-5,12-15H2,1-3H3,(H,30,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548393
(CHEMBL3716446)Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12 | PDB
UniProtKB/SwissProt
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 |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduction i... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257776
(CHEMBL4084005)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCOCC1 Show InChI InChI=1S/C23H24FN5OS/c1-3-19-22(27(2)23-26-20(15-31-23)16-4-6-17(24)7-5-16)29-14-18(8-9-21(29)25-19)28-10-12-30-13-11-28/h4-9,14-15H,3,10-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50575720
(CHEMBL4864283)Show SMILES CC1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS5 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548393
(CHEMBL3716446)Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548412
(CHEMBL4776061)Show SMILES COc1cc2CCn3c(cc(OCCOc4ccccn4)nc3=O)-c2cc1OC | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257813
(CHEMBL4062291)Show SMILES CCOC(=O)N1CCC(CC1)NCc1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C28H33ClN6O2S/c1-4-23-26(33(3)27-32-24(18-38-27)20-7-9-21(29)10-8-20)35-17-19(6-11-25(35)31-23)16-30-22-12-14-34(15-13-22)28(36)37-5-2/h6-11,17-18,22,30H,4-5,12-16H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluore... |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50548406
(CHEMBL4757870) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human PDE4A overexpressed in HEK293 cells assessed as reduction in cAMP hydrolysis by HTRF based immunoassay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548412
(CHEMBL4776061)Show SMILES COc1cc2CCn3c(cc(OCCOc4ccccn4)nc3=O)-c2cc1OC | PDB
UniProtKB/SwissProt
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 |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduction i... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM379975
(US9926281, Compound 436)Show SMILES COCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H24Cl2N4O4/c1-19(17(27)22-18(28)23-19)10-12(11-29-2)16(26)25-5-3-24(4-6-25)15-8-13(20)7-14(21)9-15/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-4 (AA1 to 520) assessed as cleavage of fluorescent substrate using as TBIS-1 substrate incubated for 180 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379686
(US9926281, Compound 212)Show SMILES C[C@@H](C[C@]1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C21H26F2N4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-16(22)17(23)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12-,13-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM193000
(US10526329, Compound 180 | US11072611, Compound 18...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H29FN6OS/c1-3-21-24(29(2)25-28-22(17-34-25)18-4-6-19(26)7-5-18)32-16-20(8-9-23(32)27-21)31-12-10-30(11-13-31)14-15-33/h4-9,16-17,33H,3,10-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluore... |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM379924
(US9926281, Compound 410)Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H22Cl2N4O3/c1-11(10-18(2)16(26)21-17(27)22-18)15(25)24-5-3-23(4-6-24)14-8-12(19)7-13(20)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,21,22,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-4 (AA1 to 520) assessed as cleavage of fluorescent substrate using as TBIS-1 substrate incubated for 180 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM379686
(US9926281, Compound 212)Show SMILES C[C@@H](C[C@]1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C21H26F2N4O3/c1-12(10-21(14-3-4-14)19(29)24-20(30)25-21)18(28)26-7-8-27(13(2)11-26)15-5-6-16(22)17(23)9-15/h5-6,9,12-14H,3-4,7-8,10-11H2,1-2H3,(H2,24,25,29,30)/t12-,13-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-4 (AA1 to 520) assessed as cleavage of fluorescent substrate using as TBIS-1 substrate incubated for 180 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379760
(US9926281, Compound 220 | US9926281, Compound 425)Show SMILES CC1(CC(CO)C(=O)N2CCN(CC2)c2cc(Cl)cc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C18H22Cl2N4O4/c1-18(16(27)21-17(28)22-18)9-11(10-25)15(26)24-4-2-23(3-5-24)14-7-12(19)6-13(20)8-14/h6-8,11,25H,2-5,9-10H2,1H3,(H2,21,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379697
(US9926281, Compound 255)Show SMILES C[C@H]1CN(CCN1c1cc(F)cc(F)c1)C(=O)CC[C@]1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C20H24F2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548420
(CHEMBL4750532) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548401
(CHEMBL4755764)Show SMILES COc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)nc3=O)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379924
(US9926281, Compound 410)Show SMILES CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H22Cl2N4O3/c1-11(10-18(2)16(26)21-17(27)22-18)15(25)24-5-3-23(4-6-24)14-8-12(19)7-13(20)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,21,22,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | BDBM192946
(US11072611, Compound 141 | US9670204, 141 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of ATX in rat plasma assessed as reduction in plasma lysophosphatidic acid 18:2 levels after 2 hrs by LC-MS/MS method |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Rattus norvegicus) | BDBM192946
(US11072611, Compound 141 | US9670204, 141 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of ATX in rat plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548391
(CHEMBL3717201)Show SMILES CN(CC#Cc1ccc-2c(CCn3c-2cc(OCC2COCCO2)nc3=O)c1)Cc1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379975
(US9926281, Compound 436)Show SMILES COCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H24Cl2N4O4/c1-19(17(27)22-18(28)23-19)10-12(11-29-2)16(26)25-5-3-24(4-6-25)15-8-13(20)7-14(21)9-15/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50575720
(CHEMBL4864283)Show SMILES CC1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS4 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548392
(CHEMBL3717853)Show SMILES CC(C)CC(O)C#Cc1ccc-2c(CCn3c-2cc(OCC2COCCO2)nc3=O)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM379555
(US9926281, Compound 34)Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 Show InChI InChI=1S/C19H23ClN4O3/c20-14-2-1-3-15(12-14)23-8-10-24(11-9-23)16(25)6-7-19(13-4-5-13)17(26)21-18(27)22-19/h1-3,12-13H,4-11H2,(H2,21,22,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-4 (AA1 to 520) assessed as cleavage of fluorescent substrate using as TBIS-1 substrate incubated for 180 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Homo sapiens (Human)) | BDBM50548394
(CHEMBL3717416)Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(COC4CCCC4)cc3CCn12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192943
(US10526329, Compound 139 | US9670204, 138 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H31FN8O2S/c1-3-23-28(34(2)29-33-27(24(14-31)41-29)19-4-6-20(30)7-5-19)38-15-21(8-9-25(38)32-23)36-12-10-35(11-13-36)18-26(40)37-16-22(39)17-37/h4-9,15,22,39H,3,10-13,16-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192946
(US11072611, Compound 141 | US9670204, 141 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192946
(US11072611, Compound 141 | US9670204, 141 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France.
Curated by ChEMBL
| Assay Description
Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay |
J Med Chem 60: 7371-7392 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00647
BindingDB Entry DOI: 10.7270/Q2R213VZ |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM192946
(US11072611, Compound 141 | US9670204, 141 2-((2-et...)Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos SASU
Curated by ChEMBL
| Assay Description
Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric... |
J Med Chem 60: 3580-3590 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00032
BindingDB Entry DOI: 10.7270/Q25141PD |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379565
(US9926281, Compound 55)Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 Show InChI InChI=1S/C19H22Cl2N4O3/c20-13-9-14(21)11-15(10-13)24-5-7-25(8-6-24)16(26)3-4-19(12-1-2-12)17(27)22-18(28)23-19/h9-12H,1-8H2,(H2,22,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 in absence of serum by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50575721
(CHEMBL4853676)Show SMILES CCCNc1nc(NCc2nccn2C)nc(n1)N1CCCC1CNS(=O)(=O)c1ccc(CCC)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS5 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM50575719
(CHEMBL4859268)Show SMILES CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS4 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM379760
(US9926281, Compound 220 | US9926281, Compound 425)Show SMILES CC1(CC(CO)C(=O)N2CCN(CC2)c2cc(Cl)cc(Cl)c2)NC(=O)NC1=O Show InChI InChI=1S/C18H22Cl2N4O4/c1-18(16(27)21-17(28)22-18)9-11(10-25)15(26)24-4-2-23(3-5-24)14-7-12(19)6-13(20)8-14/h6-8,11,25H,2-5,9-10H2,1H3,(H2,21,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-4 (AA1 to 520) assessed as cleavage of fluorescent substrate using as TBIS-1 substrate incubated for 180 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379751
(US9926281, Compound 407)Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)c1ccccn1 Show InChI InChI=1S/C21H21Cl2N5O3/c22-14-11-15(23)13-16(12-14)27-7-9-28(10-8-27)18(29)4-5-21(17-3-1-2-6-24-17)19(30)25-20(31)26-21/h1-3,6,11-13H,4-5,7-10H2,(H2,25,26,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379566
(US9926281, Compound 56)Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)c1cccnc1 Show InChI InChI=1S/C21H22ClN5O3/c22-16-4-1-5-17(13-16)26-9-11-27(12-10-26)18(28)6-7-21(15-3-2-8-23-14-15)19(29)24-20(30)25-21/h1-5,8,13-14H,6-7,9-12H2,(H2,24,25,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379626
(US9926281, Compound 142)Show SMILES C[C@H]1CN(CCN1c1cc(Cl)cc(Cl)c1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 |r| Show InChI InChI=1S/C20H24Cl2N4O3/c1-12-11-25(6-7-26(12)16-9-14(21)8-15(22)10-16)17(27)4-5-20(13-2-3-13)18(28)23-19(29)24-20/h8-10,12-13H,2-7,11H2,1H3,(H2,23,24,28,29)/t12-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379557
(US9926281, Compound 36)Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 Show InChI InChI=1S/C20H25ClN4O3/c1-13-2-5-15(21)12-16(13)24-8-10-25(11-9-24)17(26)6-7-20(14-3-4-14)18(27)22-19(28)23-20/h2,5,12,14H,3-4,6-11H2,1H3,(H2,22,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379565
(US9926281, Compound 55)Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 Show InChI InChI=1S/C19H22Cl2N4O3/c20-13-9-14(21)11-15(10-13)24-5-7-25(8-6-24)16(26)3-4-19(12-1-2-12)17(27)22-18(28)23-19/h9-12H,1-8H2,(H2,22,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
G-protein coupled receptor 84
(Mus musculus) | BDBM50548393
(CHEMBL3716446)Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inverse agonist activity at recombinant mouse GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduct... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3 |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM50575719
(CHEMBL4859268)Show SMILES CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)-c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS5 using synthetic peptide as substrate by FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379555
(US9926281, Compound 34)Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1 Show InChI InChI=1S/C19H23ClN4O3/c20-14-2-1-3-15(12-14)23-8-10-24(11-9-23)16(25)6-7-19(13-4-5-13)17(26)21-18(27)22-19/h1-3,12-13H,4-11H2,(H2,21,22,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM |
More data for this
Ligand-Target Pair | |
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