BDBM50004575 CHEMBL268071::Cyclopentyl-(1-trifluoromethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine

SMILES: FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12

InChI Key: InChIKey=GVZAERDMOPXBGE-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50004575   

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 A1 (Rattus norvegicus (rat))	BDBM50004575 (CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...) Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12 Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat brain membranes				J Med Chem 33: 1708-13 (1990) BindingDB Entry DOI: 10.7270/Q2CZ3643
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004575 (CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...) Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12 Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine in rat whole brain membranes.				J Med Chem 31: 1011-4 (1988) BindingDB Entry DOI: 10.7270/Q2XW4HTF
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004575 (CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...) Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12 Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat whole brain membranes using N6-[3H]cyclohexyladenosine				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50004575 (CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...) Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12 Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Binding affinity at bovine Adenosine A1 receptor.				J Med Chem 45: 4875-87 (2002) BindingDB Entry DOI: 10.7270/Q2N87BHS
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50004575 (CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...) Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12 Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004575 (CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...) Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12 Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004575 (CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...) Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12 Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against Adenosine-2 receptor with [3H]-NECA in rat striatal membranes.				J Med Chem 31: 1011-4 (1988) BindingDB Entry DOI: 10.7270/Q2XW4HTF
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50004575 (CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...) Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12 Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 5...				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair