BDBM50244515 CHEMBL4104256

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)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](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=PSYWAFVSCSTZFG-HBKJHRGCSA-N

Data: 1 KI

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 1 hit for monomerid = 50244515   

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))	BDBM50244515 (CHEMBL4104256) 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)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](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C72H110N22O16/c1-4-7-22-49(68(107)94-36-17-28-56(94)66(105)90-52(70(109)110)37-42-20-9-8-10-21-42)88-65(104)55-27-16-34-92(55)67(106)48(19-6-3)86-60(99)45(23-11-12-31-73)84-62(101)51(38-43-39-78-41-81-43)89-63(102)53(40-95)91-58(97)44(18-5-2)83-59(98)46(24-13-32-79-71(74)75)85-64(103)54-26-15-35-93(54)69(108)50(25-14-33-80-72(76)77)87-61(100)47-29-30-57(96)82-47/h5-6,8-10,20-21,39,41,44-56,95H,2-4,7,11-19,22-38,40,73H2,1H3,(H,78,81)(H,82,96)(H,83,98)(H,84,101)(H,85,103)(H,86,99)(H,87,100)(H,88,104)(H,89,102)(H,90,105)(H,91,97)(H,109,110)(H4,74,75,79)(H4,76,77,80)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	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