BDBM50045684 3-(4-Amino-piperidine-1-sulfonyl)-2-benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-pyridin-2-yl-pentylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-propionamide::CHEMBL329808

SMILES: NC1CCN(CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1

InChI Key: InChIKey=FNWHVNIVEHHXBC-AFJKRBKMSA-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 = 50045684   

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))	BDBM50045684 (3-(4-Amino-piperidine-1-sulfonyl)-2-benzyl-N-[1-(1...) Show SMILES NC1CCN(CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H55N7O6S/c39-30-16-19-45(20-17-30)52(50,51)25-29(21-27-9-3-1-4-10-27)37(48)44-34(23-32-24-40-26-42-32)38(49)43-33(22-28-11-5-2-6-12-28)36(47)35(46)15-14-31-13-7-8-18-41-31/h1,3-4,7-10,13,18,24,26,28-30,33-36,46-47H,2,5-6,11-12,14-17,19-23,25,39H2,(H,40,42)(H,43,49)(H,44,48)/t29-,33+,34+,35+,36-/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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045684 (3-(4-Amino-piperidine-1-sulfonyl)-2-benzyl-N-[1-(1...) Show SMILES NC1CCN(CC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 Show InChI InChI=1S/C38H55N7O6S/c39-30-16-19-45(20-17-30)52(50,51)25-29(21-27-9-3-1-4-10-27)37(48)44-34(23-32-24-40-26-42-32)38(49)43-33(22-28-11-5-2-6-12-28)36(47)35(46)15-14-31-13-7-8-18-41-31/h1,3-4,7-10,13,18,24,26,28-30,33-36,46-47H,2,5-6,11-12,14-17,19-23,25,39H2,(H,40,42)(H,43,49)(H,44,48)/t29-,33+,34+,35+,36-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of purified human kidney renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair