BDBM50544720 CHEMBL4632564

SMILES: COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1

InChI Key: InChIKey=XSBQPPFACQVDKB-DEOSSOPVSA-N

Data: 1 KI  4 EC50

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 = 50544720   

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
Apelin receptor (Homo sapiens (Human))	BDBM50544720 (CHEMBL4632564) Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:22.24,(36.18,-25.4,;36.81,-26.8,;35.91,-28.05,;34.38,-27.89,;33.47,-29.13,;34.09,-30.54,;35.63,-30.71,;36.25,-32.12,;35.35,-33.36,;36.54,-29.45,;38.07,-29.61,;39.1,-28.46,;40.51,-29.09,;40.35,-30.62,;38.84,-30.94,;38.22,-32.35,;39.14,-33.59,;38.52,-35,;40.67,-33.42,;41.84,-28.31,;41.84,-26.77,;43.17,-29.08,;44.51,-28.31,;44.5,-26.77,;45.84,-26,;45.83,-24.46,;47.17,-23.69,;47.17,-22.16,;45.84,-21.38,;44.5,-22.15,;44.5,-23.7,;45.84,-29.08,;47.17,-28.3,;47.17,-26.76,;48.51,-29.07,;49.84,-28.3,;51.33,-28.7,;51.73,-27.21,;50.24,-26.81,)| Show InChI InChI=1S/C31H46N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h9,14-15,19,21-24H,5-8,10-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation count...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50544720 (CHEMBL4632564) Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:22.24,(36.18,-25.4,;36.81,-26.8,;35.91,-28.05,;34.38,-27.89,;33.47,-29.13,;34.09,-30.54,;35.63,-30.71,;36.25,-32.12,;35.35,-33.36,;36.54,-29.45,;38.07,-29.61,;39.1,-28.46,;40.51,-29.09,;40.35,-30.62,;38.84,-30.94,;38.22,-32.35,;39.14,-33.59,;38.52,-35,;40.67,-33.42,;41.84,-28.31,;41.84,-26.77,;43.17,-29.08,;44.51,-28.31,;44.5,-26.77,;45.84,-26,;45.83,-24.46,;47.17,-23.69,;47.17,-22.16,;45.84,-21.38,;44.5,-22.15,;44.5,-23.7,;45.84,-29.08,;47.17,-28.3,;47.17,-26.76,;48.51,-29.07,;49.84,-28.3,;51.33,-28.7,;51.73,-27.21,;50.24,-26.81,)| Show InChI InChI=1S/C31H46N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h9,14-15,19,21-24H,5-8,10-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	282	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50544720 (CHEMBL4632564) Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:22.24,(36.18,-25.4,;36.81,-26.8,;35.91,-28.05,;34.38,-27.89,;33.47,-29.13,;34.09,-30.54,;35.63,-30.71,;36.25,-32.12,;35.35,-33.36,;36.54,-29.45,;38.07,-29.61,;39.1,-28.46,;40.51,-29.09,;40.35,-30.62,;38.84,-30.94,;38.22,-32.35,;39.14,-33.59,;38.52,-35,;40.67,-33.42,;41.84,-28.31,;41.84,-26.77,;43.17,-29.08,;44.51,-28.31,;44.5,-26.77,;45.84,-26,;45.83,-24.46,;47.17,-23.69,;47.17,-22.16,;45.84,-21.38,;44.5,-22.15,;44.5,-23.7,;45.84,-29.08,;47.17,-28.3,;47.17,-26.76,;48.51,-29.07,;49.84,-28.3,;51.33,-28.7,;51.73,-27.21,;50.24,-26.81,)| Show InChI InChI=1S/C31H46N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h9,14-15,19,21-24H,5-8,10-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	81	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilizati...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50544720 (CHEMBL4632564) Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:22.24,(36.18,-25.4,;36.81,-26.8,;35.91,-28.05,;34.38,-27.89,;33.47,-29.13,;34.09,-30.54,;35.63,-30.71,;36.25,-32.12,;35.35,-33.36,;36.54,-29.45,;38.07,-29.61,;39.1,-28.46,;40.51,-29.09,;40.35,-30.62,;38.84,-30.94,;38.22,-32.35,;39.14,-33.59,;38.52,-35,;40.67,-33.42,;41.84,-28.31,;41.84,-26.77,;43.17,-29.08,;44.51,-28.31,;44.5,-26.77,;45.84,-26,;45.83,-24.46,;47.17,-23.69,;47.17,-22.16,;45.84,-21.38,;44.5,-22.15,;44.5,-23.7,;45.84,-29.08,;47.17,-28.3,;47.17,-26.76,;48.51,-29.07,;49.84,-28.3,;51.33,-28.7,;51.73,-27.21,;50.24,-26.81,)| Show InChI InChI=1S/C31H46N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h9,14-15,19,21-24H,5-8,10-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	144	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50544720 (CHEMBL4632564) Show SMILES COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:22.24,(36.18,-25.4,;36.81,-26.8,;35.91,-28.05,;34.38,-27.89,;33.47,-29.13,;34.09,-30.54,;35.63,-30.71,;36.25,-32.12,;35.35,-33.36,;36.54,-29.45,;38.07,-29.61,;39.1,-28.46,;40.51,-29.09,;40.35,-30.62,;38.84,-30.94,;38.22,-32.35,;39.14,-33.59,;38.52,-35,;40.67,-33.42,;41.84,-28.31,;41.84,-26.77,;43.17,-29.08,;44.51,-28.31,;44.5,-26.77,;45.84,-26,;45.83,-24.46,;47.17,-23.69,;47.17,-22.16,;45.84,-21.38,;44.5,-22.15,;44.5,-23.7,;45.84,-29.08,;47.17,-28.3,;47.17,-26.76,;48.51,-29.07,;49.84,-28.3,;51.33,-28.7,;51.73,-27.21,;50.24,-26.81,)| Show InChI InChI=1S/C31H46N4O4/c1-21(2)20-35-26(30-27(38-3)14-9-15-28(30)39-4)19-25(34-35)31(37)33-24(17-16-22-10-6-5-7-11-22)18-29(36)32-23-12-8-13-23/h9,14-15,19,21-24H,5-8,10-13,16-18,20H2,1-4H3,(H,32,36)(H,33,37)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Agonist activity at human AGTR1 stably expressed in CHO cells assessed as increase in intracellular calcium mobilization measured at 1 sec intervals ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair