BDBM50382493 CHEMBL2024116

SMILES: Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1

InChI Key: InChIKey=NEYZTILMBRSITP-UHFFFAOYSA-N

Data: 3 KI

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 12 hits for monomerid = 50382493   

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 A2a (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting				J Med Chem 55: 1898-903 (2012) Article DOI: 10.1021/jm201376w BindingDB Entry DOI: 10.7270/Q2S46SZG
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Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2b (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of adenosine A2B receptor				J Med Chem 55: 1898-903 (2012) Article DOI: 10.1021/jm201376w BindingDB Entry DOI: 10.7270/Q2S46SZG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A1 (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting				J Med Chem 55: 1898-903 (2012) Article DOI: 10.1021/jm201376w BindingDB Entry DOI: 10.7270/Q2S46SZG
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Adenosine receptor A3 (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
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Adenosine receptor A2a (Homo sapiens (Human))	BDBM50382493 (CHEMBL2024116) Show SMILES Cc1cc(cc(C)n1)-c1nnc(N)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5/c1-9-7-12(8-10(2)19-9)15-14(20-16(18)22-21-15)11-3-5-13(17)6-4-11/h3-8H,1-2H3,(H2,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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