BDBM50331929 1-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yl)methyl)-3-(2-phenylpropan-2-yl)urea::CHEMBL1290323

SMILES: CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1

InChI Key: InChIKey=YHOJGHQBFITHNN-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 3 hits for monomerid = 50331929   

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 A2b (Homo sapiens (Human))	BDBM50331929 (1-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydro...) Show SMILES CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H30N4O2S/c1-31(2,23-11-7-4-8-12-23)35-30(37)33-20-22-14-16-26-25(19-22)24(15-13-21-9-5-3-6-10-21)27(28(36)34-26)29-32-17-18-38-29/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,34,36)(H2,33,35,37)	NCI pathway 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
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50331929 (1-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydro...) Show SMILES CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H30N4O2S/c1-31(2,23-11-7-4-8-12-23)35-30(37)33-20-22-14-16-26-25(19-22)24(15-13-21-9-5-3-6-10-21)27(28(36)34-26)29-32-17-18-38-29/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,34,36)(H2,33,35,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50331929 (1-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydro...) Show SMILES CC(C)(NC(=O)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 Show InChI InChI=1S/C31H30N4O2S/c1-31(2,23-11-7-4-8-12-23)35-30(37)33-20-22-14-16-26-25(19-22)24(15-13-21-9-5-3-6-10-21)27(28(36)34-26)29-32-17-18-38-29/h3-12,14,16-19H,13,15,20H2,1-2H3,(H,34,36)(H2,33,35,37)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human adenosine A2A receptor transfected in HEK293 cells				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair