Found 5 hits for monomerid = 50300129 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50300129
(CHEMBL572528 | CIBACRON BLUE | Cibacron Blue 3Ga)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) | KEGG
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| Article PubMed
| 39.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck Institute for Experimental Medicine
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 109-18 (1997)
Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(RAT) | BDBM50300129
(CHEMBL572528 | CIBACRON BLUE | Cibacron Blue 3Ga)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) | PDB
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| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck Institute for Experimental Medicine
Curated by PDSP Ki Database
| |
Mol Pharmacol 51: 109-18 (1997)
Article DOI: 10.1124/mol.51.1.109 BindingDB Entry DOI: 10.7270/Q218351B |
More data for this Ligand-Target Pair | |
P2X purinoceptor 2
(Homo sapiens (Human)) | BDBM50300129
(CHEMBL572528 | CIBACRON BLUE | Cibacron Blue 3Ga)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907 BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50300129
(CHEMBL572528 | CIBACRON BLUE | Cibacron Blue 3Ga)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) | PDB
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| 2.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 407-16 (2004)
Article DOI: 10.1124/jpet.103.064907 BindingDB Entry DOI: 10.7270/Q2SQ8XZR |
More data for this Ligand-Target Pair | |
Prostaglandin D Synthase
(Homo sapiens (Human)) | BDBM50300129
(CHEMBL572528 | CIBACRON BLUE | Cibacron Blue 3Ga)Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37) | PDB MMDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation |
Eur J Med Chem 45: 447-54 (2010)
Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |