null

SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C\C=C/CN([C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=LKBICTPMPNFGGP-AUADCYOXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50244523   

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))	BDBM50244523 (CHEMBL4100822) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C\C=C/CN([C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:42| Show InChI InChI=1S/C73H112N22O15/c1-42(2)35-50-63(101)86-47(20-9-11-31-95(68(106)49-26-27-58(96)84-49)57(22-13-30-81-73(77)78)70(108)94-34-16-25-56(94)66(104)87-48(62(100)88-50)21-12-29-80-72(75)76)61(99)89-51(38-45-39-79-41-83-45)64(102)85-46(19-8-10-28-74)60(98)82-40-59(97)92-32-14-23-54(92)65(103)90-52(36-43(3)4)69(107)93-33-15-24-55(93)67(105)91-53(71(109)110)37-44-17-6-5-7-18-44/h5-7,9,11,17-18,39,41-43,46-57H,8,10,12-16,19-38,40,74H2,1-4H3,(H,79,83)(H,82,98)(H,84,96)(H,85,102)(H,86,101)(H,87,104)(H,88,100)(H,89,99)(H,90,103)(H,91,105)(H,109,110)(H4,75,76,80)(H4,77,78,81)/b11-9-/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.5	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))	BDBM50244523 (CHEMBL4100822) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C\C=C/CN([C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:42| Show InChI InChI=1S/C73H112N22O15/c1-42(2)35-50-63(101)86-47(20-9-11-31-95(68(106)49-26-27-58(96)84-49)57(22-13-30-81-73(77)78)70(108)94-34-16-25-56(94)66(104)87-48(62(100)88-50)21-12-29-80-72(75)76)61(99)89-51(38-45-39-79-41-83-45)64(102)85-46(19-8-10-28-74)60(98)82-40-59(97)92-32-14-23-54(92)65(103)90-52(36-43(3)4)69(107)93-33-15-24-55(93)67(105)91-53(71(109)110)37-44-17-6-5-7-18-44/h5-7,9,11,17-18,39,41-43,46-57H,8,10,12-16,19-38,40,74H2,1-4H3,(H,79,83)(H,82,98)(H,84,96)(H,85,102)(H,86,101)(H,87,104)(H,88,100)(H,89,99)(H,90,103)(H,91,105)(H,109,110)(H4,75,76,80)(H4,77,78,81)/b11-9-/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	179	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))	BDBM50244523 (CHEMBL4100822) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C\C=C/CN([C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:42| Show InChI InChI=1S/C73H112N22O15/c1-42(2)35-50-63(101)86-47(20-9-11-31-95(68(106)49-26-27-58(96)84-49)57(22-13-30-81-73(77)78)70(108)94-34-16-25-56(94)66(104)87-48(62(100)88-50)21-12-29-80-72(75)76)61(99)89-51(38-45-39-79-41-83-45)64(102)85-46(19-8-10-28-74)60(98)82-40-59(97)92-32-14-23-54(92)65(103)90-52(36-43(3)4)69(107)93-33-15-24-55(93)67(105)91-53(71(109)110)37-44-17-6-5-7-18-44/h5-7,9,11,17-18,39,41-43,46-57H,8,10,12-16,19-38,40,74H2,1-4H3,(H,79,83)(H,82,98)(H,84,96)(H,85,102)(H,86,101)(H,87,104)(H,88,100)(H,89,99)(H,90,103)(H,91,105)(H,109,110)(H4,75,76,80)(H4,77,78,81)/b11-9-/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	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