BDBM50046841 CHEMBL357864::Morpholine-4-carboxylic acid {2-cyclohexyl-1-[1-(2,3-dihydroxy-5-methyl-1-naphthalen-2-ylmethyl-hexylcarbamoyl)-2-methyl-butylcarbamoyl]-ethyl}-amide

SMILES: CCC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C

InChI Key: InChIKey=KLNHCORKYXXGEP-JWEFNPAHSA-N

Data: 3 IC50

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 = 50046841   

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
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50046841 (CHEMBL357864 | Morpholine-4-carboxylic acid {2-cyc...) Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C38H58N4O6/c1-5-26(4)34(41-36(45)32(23-27-11-7-6-8-12-27)40-38(47)42-17-19-48-20-18-42)37(46)39-31(35(44)33(43)21-25(2)3)24-28-15-16-29-13-9-10-14-30(29)22-28/h9-10,13-16,22,25-27,31-35,43-44H,5-8,11-12,17-21,23-24H2,1-4H3,(H,39,46)(H,40,47)(H,41,45)/t26?,31-,32-,33-,34-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50046841 (CHEMBL357864 | Morpholine-4-carboxylic acid {2-cyc...) Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C38H58N4O6/c1-5-26(4)34(41-36(45)32(23-27-11-7-6-8-12-27)40-38(47)42-17-19-48-20-18-42)37(46)39-31(35(44)33(43)21-25(2)3)24-28-15-16-29-13-9-10-14-30(29)22-28/h9-10,13-16,22,25-27,31-35,43-44H,5-8,11-12,17-21,23-24H2,1-4H3,(H,39,46)(H,40,47)(H,41,45)/t26?,31-,32-,33-,34-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of conversion of hemoglobin by commercially purchased bovine spleen cathepsin D.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50046841 (CHEMBL357864 | Morpholine-4-carboxylic acid {2-cyc...) Show SMILES CCC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C38H58N4O6/c1-5-26(4)34(41-36(45)32(23-27-11-7-6-8-12-27)40-38(47)42-17-19-48-20-18-42)37(46)39-31(35(44)33(43)21-25(2)3)24-28-15-16-29-13-9-10-14-30(29)22-28/h9-10,13-16,22,25-27,31-35,43-44H,5-8,11-12,17-21,23-24H2,1-4H3,(H,39,46)(H,40,47)(H,41,45)/t26?,31-,32-,33-,34-,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	6.0	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of partially purified human renin at pH 6.0.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair