BDBM50009905 3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3-naphthalen-1-yl-2-naphthalen-1-ylmethyl-propionylamino)-hexanoylamino]-heptanoic acid (2-methyl-butyl)-amide::CHEMBL23232

SMILES: CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

InChI Key: InChIKey=FSGCSGPTSJSHHI-PASJKQFYSA-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 = 50009905   

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))	BDBM50009905 (3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3...) Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12 Show InChI InChI=1S/C45H61N5O4S/c1-6-31(4)29-48-42(52)28-41(51)40(25-30(2)3)50-44(54)39(23-11-12-24-47-45(55)46-5)49-43(53)36(26-34-19-13-17-32-15-7-9-21-37(32)34)27-35-20-14-18-33-16-8-10-22-38(33)35/h7-10,13-22,30-31,36,39-41,51H,6,11-12,23-29H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)(H2,46,47,55)/t31?,39?,40?,41-/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity against human plasma renin				J Med Chem 34: 1258-71 (1991) BindingDB Entry DOI: 10.7270/Q21C1VT6
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50009905 (3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3...) Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12 Show InChI InChI=1S/C45H61N5O4S/c1-6-31(4)29-48-42(52)28-41(51)40(25-30(2)3)50-44(54)39(23-11-12-24-47-45(55)46-5)49-43(53)36(26-34-19-13-17-32-15-7-9-21-37(32)34)27-35-20-14-18-33-16-8-10-22-38(33)35/h7-10,13-22,30-31,36,39-41,51H,6,11-12,23-29H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)(H2,46,47,55)/t31?,39?,40?,41-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	781	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity against bovine Cathepsin D was determined				J Med Chem 34: 1258-71 (1991) BindingDB Entry DOI: 10.7270/Q21C1VT6
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50009905 (3-Hydroxy-6-methyl-4-[6-(3-methyl-thioureido)-2-(3...) Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12 Show InChI InChI=1S/C45H61N5O4S/c1-6-31(4)29-48-42(52)28-41(51)40(25-30(2)3)50-44(54)39(23-11-12-24-47-45(55)46-5)49-43(53)36(26-34-19-13-17-32-15-7-9-21-37(32)34)27-35-20-14-18-33-16-8-10-22-38(33)35/h7-10,13-22,30-31,36,39-41,51H,6,11-12,23-29H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)(H2,46,47,55)/t31?,39?,40?,41-/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory activity against monkey plasma renin.				J Med Chem 34: 1258-71 (1991) BindingDB Entry DOI: 10.7270/Q21C1VT6
					More data for this Ligand-Target Pair