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SMILES: O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1

InChI Key: InChIKey=YAPJZGXRIHUBAY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50336976   

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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336976 (CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1 Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50336976 (CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1 Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50336976 (CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1 Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50336976 (CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1 Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50336976 (CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1 Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50336976 (CHEMBL1672622 | N-(5,6-Dipyridin-4-ylpyrazin-2-yl)...) Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1 Show InChI InChI=1S/C18H15N5O/c24-18(14-1-2-14)23-15-11-21-16(12-3-7-19-8-4-12)17(22-15)13-5-9-20-10-6-13/h3-11,14H,1-2H2,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				ACS Med Chem Lett 2: 213-218 (2011) Article DOI: 10.1021/ml100249e BindingDB Entry DOI: 10.7270/Q2PG1S10
					More data for this Ligand-Target Pair