BDBM50277551 A-839977::CHEMBL1628691

SMILES: Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1

InChI Key: InChIKey=GMVNBKZQJFRFAR-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50277551   

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 7 (Homo sapiens (Human))	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50277551 (A-839977 | CHEMBL1628691) Show SMILES Clc1cccc(c1Cl)-n1nnnc1NCc1ccccc1Oc1ccccn1 Show InChI InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
					More data for this Ligand-Target Pair