BDBM50406421 CHEMBL2115366

SMILES: CC(C)CC(NC(=O)CC(N)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1ccccn1

InChI Key: InChIKey=ATLHHAOOYRUXSA-JEWBTKAFSA-N

Data: 2 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 2 hits for monomerid = 50406421   

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))	BDBM50406421 (CHEMBL2115366) Show SMILES CC(C)CC(NC(=O)CC(N)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C46H60N10O3/c1-30(2)22-39-44-55-54-43(56(44)29-41(51-39)34-17-9-6-10-18-34)36(24-33-16-13-20-48-27-33)45(58)53-38(25-32-14-7-5-8-15-32)37(47)26-42(57)52-40(23-31(3)4)46(59)50-28-35-19-11-12-21-49-35/h6,9-13,16-21,27,29-32,36-38,40H,5,7-8,14-15,22-26,28,47H2,1-4H3,(H,50,59)(H,52,57)(H,53,58)/t36-,37?,38-,40?/m1/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	120	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 34: 151-7 (1991) BindingDB Entry DOI: 10.7270/Q2251H5S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50406421 (CHEMBL2115366) Show SMILES CC(C)CC(NC(=O)CC(N)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C46H60N10O3/c1-30(2)22-39-44-55-54-43(56(44)29-41(51-39)34-17-9-6-10-18-34)36(24-33-16-13-20-48-27-33)45(58)53-38(25-32-14-7-5-8-15-32)37(47)26-42(57)52-40(23-31(3)4)46(59)50-28-35-19-11-12-21-49-35/h6,9-13,16-21,27,29-32,36-38,40H,5,7-8,14-15,22-26,28,47H2,1-4H3,(H,50,59)(H,52,57)(H,53,58)/t36-,37?,38-,40?/m1/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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 34: 151-7 (1991) BindingDB Entry DOI: 10.7270/Q2251H5S
					More data for this Ligand-Target Pair