BDBM50336781 CHEMBL1672104::Disodium 1-Amino-4-[3-(4,6-dichloro[1,3,5]triazine-2-ylamino)-4-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
SMILES: Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
InChI Key: InChIKey=RTLULCVBFCRQKI-UHFFFAOYSA-L
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 |
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Purinergic receptor P2Y12 (Homo sapiens (Human)) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Displacement of [3H]PSB0413 from human platelet P2Y12 receptor | J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human)) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity against human P2Y4 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay | J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human)) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity against human P2Y6 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay | J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (RAT) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity against rat P2X4 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b... | J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 1 (RAT) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 422 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity against rat P2X1 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b... | J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 3 (RAT) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 494 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity against rat P2X3 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b... | J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 692 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL | Assay Description Antagonist activity at human P2X2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx preincubated for 30 m... | J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic, P2X2 (RAT) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b... | J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL | Assay Description Antagonist activity at human P2X2 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 s... | Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 1 (RAT) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL | Assay Description Antagonist activity at P2X1 receptor in rat vas deferens assessed as inhibition of alphabeta me-ATP-induced response | Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic, P2X2 (RAT) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL | Assay Description Antagonist activity at wild type His6 tagged rat P2X1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of alphabeta-me ATP-induced... | Eur J Med Chem 151: 462-481 (2018) Article DOI: 10.1016/j.ejmech.2018.03.023 BindingDB Entry DOI: 10.7270/Q2S75JWB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y2 (Homo sapiens (Human)) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity against human P2Y2 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay | J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat)) | BDBM50336781 (CHEMBL1672104 | Disodium 1-Amino-4-[3-(4,6-dichlor...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity against rat P2X7 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b... | J Med Chem 54: 817-30 (2012) Article DOI: 10.1021/jm1012193 BindingDB Entry DOI: 10.7270/Q2VH5PTG | |||||||||||
More data for this Ligand-Target Pair |