BDBM50407070 CHEMBL2112268

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

InChI Key: InChIKey=KSTOBDMSDPHGEE-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 = 50407070   

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))	BDBM50407070 (CHEMBL2112268) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N(C)CCN(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C39H63N5O5/c1-8-27(4)35(42-37(47)33(24-28-14-10-9-11-15-28)41-39(49)44(7)21-20-43(5)6)38(48)40-32(36(46)34(45)22-26(2)3)25-29-18-19-30-16-12-13-17-31(30)23-29/h12-13,16-19,23,26-28,32-36,45-46H,8-11,14-15,20-22,24-25H2,1-7H3,(H,40,48)(H,41,49)(H,42,47)/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	500	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
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50407070 (CHEMBL2112268) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N(C)CCN(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C39H63N5O5/c1-8-27(4)35(42-37(47)33(24-28-14-10-9-11-15-28)41-39(49)44(7)21-20-43(5)6)38(48)40-32(36(46)34(45)22-26(2)3)25-29-18-19-30-16-12-13-17-31(30)23-29/h12-13,16-19,23,26-28,32-36,45-46H,8-11,14-15,20-22,24-25H2,1-7H3,(H,40,48)(H,41,49)(H,42,47)/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	5.90	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)	BDBM50407070 (CHEMBL2112268) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N(C)CCN(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C39H63N5O5/c1-8-27(4)35(42-37(47)33(24-28-14-10-9-11-15-28)41-39(49)44(7)21-20-43(5)6)38(48)40-32(36(46)34(45)22-26(2)3)25-29-18-19-30-16-12-13-17-31(30)23-29/h12-13,16-19,23,26-28,32-36,45-46H,8-11,14-15,20-22,24-25H2,1-7H3,(H,40,48)(H,41,49)(H,42,47)/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	280	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