BDBM50244587 CHEMBL4076652

SMILES: CC(C)C[C@H](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)N[C@@H](CO)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=MOKXQCOECRTWAZ-SVENNQHVSA-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 = 50244587   

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))	BDBM50244587 (CHEMBL4076652) Show SMILES CC(C)C[C@H](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)N[C@@H](CO)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C68H106N20O16/c1-5-17-41(56(93)79-42(21-10-11-29-69)55(92)76-37-54(91)86-32-14-24-50(86)61(98)82-45(18-6-2)64(101)87-33-16-26-52(87)63(100)84-48(66(103)104)36-40-19-8-7-9-20-40)78-60(97)49(38-89)85-59(96)47(35-39(3)4)83-57(94)43(22-12-30-74-67(70)71)80-62(99)51-25-15-34-88(51)65(102)46(23-13-31-75-68(72)73)81-58(95)44-27-28-53(90)77-44/h5-9,19-20,39,41-52,89H,1-2,10-18,21-38,69H2,3-4H3,(H,76,92)(H,77,90)(H,78,97)(H,79,93)(H,80,99)(H,81,95)(H,82,98)(H,83,94)(H,84,100)(H,85,96)(H,103,104)(H4,70,71,74)(H4,72,73,75)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	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))	BDBM50244587 (CHEMBL4076652) Show SMILES CC(C)C[C@H](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)N[C@@H](CO)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C68H106N20O16/c1-5-17-41(56(93)79-42(21-10-11-29-69)55(92)76-37-54(91)86-32-14-24-50(86)61(98)82-45(18-6-2)64(101)87-33-16-26-52(87)63(100)84-48(66(103)104)36-40-19-8-7-9-20-40)78-60(97)49(38-89)85-59(96)47(35-39(3)4)83-57(94)43(22-12-30-74-67(70)71)80-62(99)51-25-15-34-88(51)65(102)46(23-13-31-75-68(72)73)81-58(95)44-27-28-53(90)77-44/h5-9,19-20,39,41-52,89H,1-2,10-18,21-38,69H2,3-4H3,(H,76,92)(H,77,90)(H,78,97)(H,79,93)(H,80,99)(H,81,95)(H,82,98)(H,83,94)(H,84,100)(H,85,96)(H,103,104)(H4,70,71,74)(H4,72,73,75)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	42	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))	BDBM50244587 (CHEMBL4076652) Show SMILES CC(C)C[C@H](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)N[C@@H](CO)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C68H106N20O16/c1-5-17-41(56(93)79-42(21-10-11-29-69)55(92)76-37-54(91)86-32-14-24-50(86)61(98)82-45(18-6-2)64(101)87-33-16-26-52(87)63(100)84-48(66(103)104)36-40-19-8-7-9-20-40)78-60(97)49(38-89)85-59(96)47(35-39(3)4)83-57(94)43(22-12-30-74-67(70)71)80-62(99)51-25-15-34-88(51)65(102)46(23-13-31-75-68(72)73)81-58(95)44-27-28-53(90)77-44/h5-9,19-20,39,41-52,89H,1-2,10-18,21-38,69H2,3-4H3,(H,76,92)(H,77,90)(H,78,97)(H,79,93)(H,80,99)(H,81,95)(H,82,98)(H,83,94)(H,84,100)(H,85,96)(H,103,104)(H4,70,71,74)(H4,72,73,75)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	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