BDBM50269832 CHEMBL4065991

SMILES: Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1

InChI Key: InChIKey=MSFAKTKOBQPBBX-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50269832   

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 (Rattus norvegicus (rat))	BDBM50269832 (CHEMBL4065991) Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa. Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane assessed as effect on GTP shift in presence of 100 uM GTP				Bioorg Med Chem Lett 27: 3963-3967 (2017) Article DOI: 10.1016/j.bmcl.2017.07.071 BindingDB Entry DOI: 10.7270/Q2BZ68J4
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50269832 (CHEMBL4065991) Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa. Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane				Bioorg Med Chem Lett 27: 3963-3967 (2017) Article DOI: 10.1016/j.bmcl.2017.07.071 BindingDB Entry DOI: 10.7270/Q2BZ68J4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50269832 (CHEMBL4065991) Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human A1 receptor				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50269832 (CHEMBL4065991) Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human A1 receptor				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM50269832 (CHEMBL4065991) Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of GFP-tagged human A2 receptor expressed in HEK cells by FRET-binding assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM50269832 (CHEMBL4065991) Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of GFP-tagged human A2 receptor expressed in HEK cells by FRET-binding assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus (rat))	BDBM50269832 (CHEMBL4065991) Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa. Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine				Bioorg Med Chem Lett 27: 3963-3967 (2017) Article DOI: 10.1016/j.bmcl.2017.07.071 BindingDB Entry DOI: 10.7270/Q2BZ68J4
					More data for this Ligand-Target Pair