BDBM50187584 CHEMBL3827187

SMILES: CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1

InChI Key: InChIKey=JSUVPCPAVPGBBK-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 = 50187584   

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))	BDBM50187584 (CHEMBL3827187) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50187584 (CHEMBL3827187) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50187584 (CHEMBL3827187) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]NECA from recombinant rat adenosine receptor A3 expressed in CHO cell membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Rattus norvegicus)	BDBM50187584 (CHEMBL3827187) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50187584 (CHEMBL3827187) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50187584 (CHEMBL3827187) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50187584 (CHEMBL3827187) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine receptor A1 expressed in CHO cell membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus (rat))	BDBM50187584 (CHEMBL3827187) Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN(CC)CC)cc1 Show InChI InChI=1S/C28H42N6O3/c1-5-9-16-33-25-24(26(35)34(28(33)36)17-10-6-2)32-19-11-18-31(27(32)29-25)22-12-14-23(15-13-22)37-21-20-30(7-3)8-4/h12-15H,5-11,16-21H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair