BDBM50407074 CHEMBL2112267

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N1CCN(C)CC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C

InChI Key: InChIKey=ULOCIXFRXPKOGB-LREHCXSPSA-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 = 50407074   

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
Renin (Homo sapiens (Human))	BDBM50407074 (CHEMBL2112267) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N1CCN(C)CC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C38H61N5O6S/c1-6-27(4)35(40-37(46)33(24-28-12-8-7-9-13-28)41-50(48,49)43-20-18-42(5)19-21-43)38(47)39-32(36(45)34(44)22-26(2)3)25-29-16-17-30-14-10-11-15-31(30)23-29/h10-11,14-17,23,26-28,32-36,41,44-45H,6-9,12-13,18-22,24-25H2,1-5H3,(H,39,47)(H,40,46)/t27-,32-,33-,34-,35-,36+/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	660	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
Cathepsin D (Bos taurus)	BDBM50407074 (CHEMBL2112267) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N1CCN(C)CC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C38H61N5O6S/c1-6-27(4)35(40-37(46)33(24-28-12-8-7-9-13-28)41-50(48,49)43-20-18-42(5)19-21-43)38(47)39-32(36(45)34(44)22-26(2)3)25-29-16-17-30-14-10-11-15-31(30)23-29/h10-11,14-17,23,26-28,32-36,41,44-45H,6-9,12-13,18-22,24-25H2,1-5H3,(H,39,47)(H,40,46)/t27-,32-,33-,34-,35-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	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
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50407074 (CHEMBL2112267) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N1CCN(C)CC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C38H61N5O6S/c1-6-27(4)35(40-37(46)33(24-28-12-8-7-9-13-28)41-50(48,49)43-20-18-42(5)19-21-43)38(47)39-32(36(45)34(44)22-26(2)3)25-29-16-17-30-14-10-11-15-31(30)23-29/h10-11,14-17,23,26-28,32-36,41,44-45H,6-9,12-13,18-22,24-25H2,1-5H3,(H,39,47)(H,40,46)/t27-,32-,33-,34-,35-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	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