BDBM50244519 CHEMBL4093319

SMILES: CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(O)=O

InChI Key: InChIKey=WSPVJJIFQBGNQM-JUNIVEESSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50244519   

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))	BDBM50244519 (CHEMBL4093319) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(O)=O |r| Show InChI InChI=1S/C69H112N22O16/c1-6-9-19-45(65(104)91-33-16-25-53(91)63(102)85-47(18-8-3)67(106)107)84-62(101)52-24-15-31-89(52)64(103)44(17-7-2)82-55(94)41(20-10-11-28-70)80-59(98)49(35-40-36-75-38-78-40)87-60(99)50(37-92)88-58(97)48(34-39(4)5)86-56(95)42(21-12-29-76-68(71)72)81-61(100)51-23-14-32-90(51)66(105)46(22-13-30-77-69(73)74)83-57(96)43-26-27-54(93)79-43/h7-8,36,38-39,41-53,92H,2-3,6,9-35,37,70H2,1,4-5H3,(H,75,78)(H,79,93)(H,80,98)(H,81,100)(H,82,94)(H,83,96)(H,84,101)(H,85,102)(H,86,95)(H,87,99)(H,88,97)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...				J Med Chem 61: 2266-2277 (2018) Article DOI: 10.1021/acs.jmedchem.7b01353 BindingDB Entry DOI: 10.7270/Q27M0BC2
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50244519 (CHEMBL4093319) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(O)=O |r| Show InChI InChI=1S/C69H112N22O16/c1-6-9-19-45(65(104)91-33-16-25-53(91)63(102)85-47(18-8-3)67(106)107)84-62(101)52-24-15-31-89(52)64(103)44(17-7-2)82-55(94)41(20-10-11-28-70)80-59(98)49(35-40-36-75-38-78-40)87-60(99)50(37-92)88-58(97)48(34-39(4)5)86-56(95)42(21-12-29-76-68(71)72)81-61(100)51-23-14-32-90(51)66(105)46(22-13-30-77-69(73)74)83-57(96)43-26-27-54(93)79-43/h7-8,36,38-39,41-53,92H,2-3,6,9-35,37,70H2,1,4-5H3,(H,75,78)(H,79,93)(H,80,98)(H,81,100)(H,82,94)(H,83,96)(H,84,101)(H,85,102)(H,86,95)(H,87,99)(H,88,97)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	145	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Activity at GFP10-tagged human APJ receptor expressed in HEK293 cells assessed as induction of RlucII-tagged beta-arrestin-2 recruitment after 30 min...				J Med Chem 61: 2266-2277 (2018) Article DOI: 10.1021/acs.jmedchem.7b01353 BindingDB Entry DOI: 10.7270/Q27M0BC2
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50244519 (CHEMBL4093319) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(O)=O |r| Show InChI InChI=1S/C69H112N22O16/c1-6-9-19-45(65(104)91-33-16-25-53(91)63(102)85-47(18-8-3)67(106)107)84-62(101)52-24-15-31-89(52)64(103)44(17-7-2)82-55(94)41(20-10-11-28-70)80-59(98)49(35-40-36-75-38-78-40)87-60(99)50(37-92)88-58(97)48(34-39(4)5)86-56(95)42(21-12-29-76-68(71)72)81-61(100)51-23-14-32-90(51)66(105)46(22-13-30-77-69(73)74)83-57(96)43-26-27-54(93)79-43/h7-8,36,38-39,41-53,92H,2-3,6,9-35,37,70H2,1,4-5H3,(H,75,78)(H,79,93)(H,80,98)(H,81,100)(H,82,94)(H,83,96)(H,84,101)(H,85,102)(H,86,95)(H,87,99)(H,88,97)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay				J Med Chem 61: 2266-2277 (2018) Article DOI: 10.1021/acs.jmedchem.7b01353 BindingDB Entry DOI: 10.7270/Q27M0BC2
					More data for this Ligand-Target Pair