BDBM50244520 CHEMBL4076140

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

InChI Key: InChIKey=PMEGRJGJNGWVMH-SMTGLJCTSA-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 = 50244520   

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))	BDBM50244520 (CHEMBL4076140) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H]1C\C=C/C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:48| Show InChI InChI=1S/C67H104N22O15/c1-2-3-19-45(63(101)89-32-15-26-52(89)62(100)85-48(65(103)104)33-39-16-5-4-6-17-39)83-60(98)50-24-13-30-87(50)53(91)36-77-55(93)42(21-9-10-27-68)79-58(96)47(34-40-35-74-38-78-40)84-59(97)49(37-90)86-57(95)43-20-8-7-18-41(69)54(92)82-46(23-12-29-76-67(72)73)64(102)88-31-14-25-51(88)61(99)81-44(56(94)80-43)22-11-28-75-66(70)71/h4-8,16-17,35,38,41-52,90H,2-3,9-15,18-34,36-37,68-69H2,1H3,(H,74,78)(H,77,93)(H,79,96)(H,80,94)(H,81,99)(H,82,92)(H,83,98)(H,84,97)(H,85,100)(H,86,95)(H,103,104)(H4,70,71,75)(H4,72,73,76)/b8-7-/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 Similars	Article PubMed	5.70	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))	BDBM50244520 (CHEMBL4076140) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H]1C\C=C/C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:48| Show InChI InChI=1S/C67H104N22O15/c1-2-3-19-45(63(101)89-32-15-26-52(89)62(100)85-48(65(103)104)33-39-16-5-4-6-17-39)83-60(98)50-24-13-30-87(50)53(91)36-77-55(93)42(21-9-10-27-68)79-58(96)47(34-40-35-74-38-78-40)84-59(97)49(37-90)86-57(95)43-20-8-7-18-41(69)54(92)82-46(23-12-29-76-67(72)73)64(102)88-31-14-25-51(88)61(99)81-44(56(94)80-43)22-11-28-75-66(70)71/h4-8,16-17,35,38,41-52,90H,2-3,9-15,18-34,36-37,68-69H2,1H3,(H,74,78)(H,77,93)(H,79,96)(H,80,94)(H,81,99)(H,82,92)(H,83,98)(H,84,97)(H,85,100)(H,86,95)(H,103,104)(H4,70,71,75)(H4,72,73,76)/b8-7-/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 Similars	Article PubMed	n/a	n/a	n/a	n/a	857	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))	BDBM50244520 (CHEMBL4076140) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H]1C\C=C/C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:48| Show InChI InChI=1S/C67H104N22O15/c1-2-3-19-45(63(101)89-32-15-26-52(89)62(100)85-48(65(103)104)33-39-16-5-4-6-17-39)83-60(98)50-24-13-30-87(50)53(91)36-77-55(93)42(21-9-10-27-68)79-58(96)47(34-40-35-74-38-78-40)84-59(97)49(37-90)86-57(95)43-20-8-7-18-41(69)54(92)82-46(23-12-29-76-67(72)73)64(102)88-31-14-25-51(88)61(99)81-44(56(94)80-43)22-11-28-75-66(70)71/h4-8,16-17,35,38,41-52,90H,2-3,9-15,18-34,36-37,68-69H2,1H3,(H,74,78)(H,77,93)(H,79,96)(H,80,94)(H,81,99)(H,82,92)(H,83,98)(H,84,97)(H,85,100)(H,86,95)(H,103,104)(H4,70,71,75)(H4,72,73,76)/b8-7-/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 Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand.				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