BDBM50331916 (S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yloxy)-N-(1-phenylpropyl)acetamide::CHEMBL1289569

SMILES: CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1

InChI Key: InChIKey=XCNMPRNFAWIILX-SANMLTNESA-N

Data: 5 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 5 hits for monomerid = 50331916   

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))	BDBM50331916 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	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 adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA				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 A2b (Homo sapiens (Human))	BDBM50331916 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	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))	BDBM50331916 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	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 A2b (Homo sapiens (Human))	BDBM50331916 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting				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))	BDBM50331916 ((S)-2-(2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihy...) Show SMILES CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H29N3O3S/c1-2-26(22-11-7-4-8-12-22)33-28(35)20-37-23-14-16-27-25(19-23)24(15-13-21-9-5-3-6-10-21)29(30(36)34-27)31-32-17-18-38-31/h3-12,14,16-19,26H,2,13,15,20H2,1H3,(H,33,35)(H,34,36)/t26-/m0/s1	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	1.46E+3	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