null

SMILES: Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1

InChI Key: InChIKey=GEPUTKWSUKGITG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50336979   

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))	BDBM50336979 (CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1 Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	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))	BDBM50336979 (CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1 Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)	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	408	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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50336979 (CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1 Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	900	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]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs 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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50336979 (CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1 Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)	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 CYP2C19 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))	BDBM50336979 (CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1 Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)	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 3A4 (Homo sapiens (Human))	BDBM50336979 (CHEMBL1672632 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1 Show InChI InChI=1S/C16H12FN5O2/c17-11-7-18-4-3-10(11)13-14(16-19-5-6-24-16)21-12(8-20-13)22-15(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)	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 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