Found 563 hits with Last Name = 'triballeau' 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
![PNG](/data/jpeg/tenK5018/BindingDB_50187686.png) (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 ![](/images/AffyNet_logo.png)
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585273
![PNG](/data/jpeg/tenK5058/BindingDB_50585273.png) (CHEMBL5076031)Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM194644
![PNG](/data/jpeg/tenK19/BindingDB_194644.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM194644
![PNG](/data/jpeg/tenK19/BindingDB_194644.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257775
![PNG](/data/jpeg/tenK5025/BindingDB_50257775.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585274
![PNG](/data/jpeg/tenK5058/BindingDB_50585274.png) (CHEMBL5082556)Show SMILES C[C@H](C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585274
![PNG](/data/jpeg/tenK5058/BindingDB_50585274.png) (CHEMBL5082556)Show SMILES C[C@H](C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585281
![PNG](/data/jpeg/tenK5058/BindingDB_50585281.png) (CHEMBL5079623)Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585280
![PNG](/data/jpeg/tenK5058/BindingDB_50585280.png) (CHEMBL5090966)Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(cc3n2)C(F)(F)F)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585281
![PNG](/data/jpeg/tenK5058/BindingDB_50585281.png) (CHEMBL5079623)Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585272
![PNG](/data/jpeg/tenK5058/BindingDB_50585272.png) (CHEMBL5078844)Show SMILES OC(=O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257807
![PNG](/data/jpeg/tenK5025/BindingDB_50257807.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585280
![PNG](/data/jpeg/tenK5058/BindingDB_50585280.png) (CHEMBL5090966)Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(cc3n2)C(F)(F)F)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585278
![PNG](/data/jpeg/tenK5058/BindingDB_50585278.png) (CHEMBL5073747)Show SMILES CCC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585278
![PNG](/data/jpeg/tenK5058/BindingDB_50585278.png) (CHEMBL5073747)Show SMILES CCC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585273
![PNG](/data/jpeg/tenK5058/BindingDB_50585273.png) (CHEMBL5076031)Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585262
![PNG](/data/jpeg/tenK5058/BindingDB_50585262.png) (CHEMBL5081728)Show SMILES OC(=O)Cn1nc(Cc2nc3cc(c(OCC4CC4)cc3[nH]2)C(F)(F)F)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585271
![PNG](/data/jpeg/tenK5058/BindingDB_50585271.png) (CHEMBL5070413)Show SMILES OC(=O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585281
![PNG](/data/jpeg/tenK5058/BindingDB_50585281.png) (CHEMBL5079623)Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity against human S1P2 assessed as inhibition of beta-arrestin 2 recruitment |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585276
![PNG](/data/jpeg/tenK5058/BindingDB_50585276.png) (CHEMBL5093130)Show SMILES CC(C)(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257776
![PNG](/data/jpeg/tenK5025/BindingDB_50257776.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK5057/BindingDB_50575720.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585270
![PNG](/data/jpeg/tenK5058/BindingDB_50585270.png) (CHEMBL5079608)Show SMILES OC(=O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585261
![PNG](/data/jpeg/tenK5058/BindingDB_50585261.png) (CHEMBL5076737)Show SMILES OC(=O)Cn1nc(Cc2nc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM50257813
![PNG](/data/jpeg/tenK5025/BindingDB_50257813.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585271
![PNG](/data/jpeg/tenK5058/BindingDB_50585271.png) (CHEMBL5070413)Show SMILES OC(=O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Free fatty acid receptor 2
(Homo sapiens (Human)) | BDBM50032334
![PNG](/data/jpeg/tenK5003/BindingDB_50032334.png) (CHEMBL3353541)Show SMILES C[C@@]1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE 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
Curated by ChEMBL
| Assay Description Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization |
J Med Chem 57: 10044-57 (2014)
Article DOI: 10.1021/jm5012885 BindingDB Entry DOI: 10.7270/Q29S1SM9 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50398195
![PNG](/data/jpeg/tenK5039/BindingDB_50398195.png) (CHEMBL2177238)Show SMILES CN1C(=O)N(C(=O)[C@@]1(C)c1ccc(O)cc1)c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H14F3N3O3/c1-18(12-4-7-14(26)8-5-12)16(27)25(17(28)24(18)2)13-6-3-11(10-23)15(9-13)19(20,21)22/h3-9,26H,1-2H3/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS, Parc Biocitech
Curated by ChEMBL
| Assay Description Binding affinity to androgen receptor by competitive binding assay |
J Med Chem 55: 8225-35 (2012)
Article DOI: 10.1021/jm300249m BindingDB Entry DOI: 10.7270/Q2XW4KXM |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585259
![PNG](/data/jpeg/tenK5058/BindingDB_50585259.png) (CHEMBL5091304)Show SMILES CCOc1cc2[nH]c(Cc3nn(CC(=O)N4CCOCC4)c(=O)c4ccccc34)nc2cc1Cl | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585270
![PNG](/data/jpeg/tenK5058/BindingDB_50585270.png) (CHEMBL5079608)Show SMILES OC(=O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379686
![PNG](/data/jpeg/tenK37/BindingDB_379686.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
A disintegrin and metalloproteinase with thrombospondin motifs 4
(Homo sapiens (Human)) | BDBM379975
![PNG](/data/jpeg/tenK37/BindingDB_379975.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585260
![PNG](/data/jpeg/tenK5058/BindingDB_50585260.png) (CHEMBL5091947)Show SMILES OC(=O)Cn1nc(Cc2nc3cc(Cl)c(OCC(F)F)cc3[nH]2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
(Homo sapiens (Human)) | BDBM193000
![PNG](/data/jpeg/tenK19/BindingDB_193000.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK37/BindingDB_379924.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585273
![PNG](/data/jpeg/tenK5058/BindingDB_50585273.png) (CHEMBL5076031)Show SMILES CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% H... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585281
![PNG](/data/jpeg/tenK5058/BindingDB_50585281.png) (CHEMBL5079623)Show SMILES C[C@H](C(O)=O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE 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 Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585260
![PNG](/data/jpeg/tenK5058/BindingDB_50585260.png) (CHEMBL5091947)Show SMILES OC(=O)Cn1nc(Cc2nc3cc(Cl)c(OCC(F)F)cc3[nH]2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585274
![PNG](/data/jpeg/tenK5058/BindingDB_50585274.png) (CHEMBL5082556)Show SMILES C[C@H](C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585277
![PNG](/data/jpeg/tenK5058/BindingDB_50585277.png) (CHEMBL5094625)Show SMILES OC(=O)C1(CC1)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585258
![PNG](/data/jpeg/tenK5058/BindingDB_50585258.png) (CHEMBL5088734)Show SMILES CCOc1cc2[nH]c(Cc3nn(CC(O)=O)c(=O)c4ccccc34)nc2cc1Cl | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50065628
![PNG](/data/jpeg/tenK5006/BindingDB_50065628.png) (CHEMBL1368758 | US9663511, Compound JTE013)Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(C)nc(C)c12 Show InChI InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at S1P2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379760
![PNG](/data/jpeg/tenK37/BindingDB_379760.png) (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 ![](/images/AffyNet_logo.png)
| 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 4
(Homo sapiens (Human)) | BDBM379686
![PNG](/data/jpeg/tenK37/BindingDB_379686.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585263
![PNG](/data/jpeg/tenK5058/BindingDB_50585263.png) (CHEMBL5077930)Show SMILES OC(=O)Cn1nc(Cc2nc3cc(F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585274
![PNG](/data/jpeg/tenK5058/BindingDB_50585274.png) (CHEMBL5082556)Show SMILES C[C@H](C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O |r| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% H... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379697
![PNG](/data/jpeg/tenK37/BindingDB_379697.png) (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 ![](/images/AffyNet_logo.png)
| 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 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585272
![PNG](/data/jpeg/tenK5058/BindingDB_50585272.png) (CHEMBL5078844)Show SMILES OC(=O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50585276
![PNG](/data/jpeg/tenK5058/BindingDB_50585276.png) (CHEMBL5093130)Show SMILES CC(C)(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01066 BindingDB Entry DOI: 10.7270/Q2VM4H5J |
More data for this Ligand-Target Pair | |
A disintegrin and metalloproteinase with thrombospondin motifs 5
(Homo sapiens (Human)) | BDBM379924
![PNG](/data/jpeg/tenK37/BindingDB_379924.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |