BDBM50176822 CHEMBL375154::isopropyl 4-(4-methoxyphenethylamino)-1-(2-chloro-2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1

InChI Key: InChIKey=JLAFLFSIZKEYGK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50176822   

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 A1 receptor (BOVINE)	BDBM50176822 (CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...) Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1 Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50176822 (CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...) Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1 Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in absence of GTP				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50176822 (CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...) Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1 Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in presence of GTP				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176822 (CHEMBL375154 | isopropyl 4-(4-methoxyphenethylamin...) Show SMILES COc1ccc(CCNc2c(cnc3n(CC(Cl)c4ccccc4)ncc23)C(=O)OC(C)C)cc1 Show InChI InChI=1S/C27H29ClN4O3/c1-18(2)35-27(33)23-15-30-26-22(16-31-32(26)17-24(28)20-7-5-4-6-8-20)25(23)29-14-13-19-9-11-21(34-3)12-10-19/h4-12,15-16,18,24H,13-14,17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 48: 7172-85 (2005) Article DOI: 10.1021/jm050407k BindingDB Entry DOI: 10.7270/Q2N0163Q
					More data for this Ligand-Target Pair