BDBM50022867 2-[2-(2-{[7-(2-tert-Butoxycarbonylamino-3-phenyl-propionyl)-6-methyl-5-oxo-1-oxa-4,7-diaza-cyclododecane-3-carbonyl]-amino}-3-methyl-butyrylamino)-3-methyl-pentanoylamino]-3-(3H-imidazol-4-yl)-propionic acid methyl ester::CHEMBL97865

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCCCN([C@H](C)C(=O)N1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC

InChI Key: InChIKey=UWJDXBLBDXDXEK-OUXIQBBVSA-N

Data: 4 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 4 hits for monomerid = 50022867   

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
Pepsin A (Porcine)	BDBM50022867 (2-[2-(2-{[7-(2-tert-Butoxycarbonylamino-3-phenyl-p...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCCCN([C@H](C)C(=O)N1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC Show InChI InChI=1S/C43H66N8O10/c1-10-27(4)35(39(55)46-32(41(57)59-9)22-30-23-44-25-45-30)50-38(54)34(26(2)3)49-37(53)33-24-60-20-16-12-15-19-51(28(5)36(52)47-33)40(56)31(21-29-17-13-11-14-18-29)48-42(58)61-43(6,7)8/h11,13-14,17-18,23,25-28,31-35H,10,12,15-16,19-22,24H2,1-9H3,(H,44,45)(H,46,55)(H,47,52)(H,48,58)(H,49,53)(H,50,54)/t27-,28+,31-,32-,33+,34-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against porcine pepsin				J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50022867 (2-[2-(2-{[7-(2-tert-Butoxycarbonylamino-3-phenyl-p...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCCCN([C@H](C)C(=O)N1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC Show InChI InChI=1S/C43H66N8O10/c1-10-27(4)35(39(55)46-32(41(57)59-9)22-30-23-44-25-45-30)50-38(54)34(26(2)3)49-37(53)33-24-60-20-16-12-15-19-51(28(5)36(52)47-33)40(56)31(21-29-17-13-11-14-18-29)48-42(58)61-43(6,7)8/h11,13-14,17-18,23,25-28,31-35H,10,12,15-16,19-22,24H2,1-9H3,(H,44,45)(H,46,55)(H,47,52)(H,48,58)(H,49,53)(H,50,54)/t27-,28+,31-,32-,33+,34-,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against bovine cathepsin D				J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX
					More data for this Ligand-Target Pair
Renin (Mus musculus)	BDBM50022867 (2-[2-(2-{[7-(2-tert-Butoxycarbonylamino-3-phenyl-p...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCCCN([C@H](C)C(=O)N1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC Show InChI InChI=1S/C43H66N8O10/c1-10-27(4)35(39(55)46-32(41(57)59-9)22-30-23-44-25-45-30)50-38(54)34(26(2)3)49-37(53)33-24-60-20-16-12-15-19-51(28(5)36(52)47-33)40(56)31(21-29-17-13-11-14-18-29)48-42(58)61-43(6,7)8/h11,13-14,17-18,23,25-28,31-35H,10,12,15-16,19-22,24H2,1-9H3,(H,44,45)(H,46,55)(H,47,52)(H,48,58)(H,49,53)(H,50,54)/t27-,28+,31-,32-,33+,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against mouse renin				J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022867 (2-[2-(2-{[7-(2-tert-Butoxycarbonylamino-3-phenyl-p...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCCCN([C@H](C)C(=O)N1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC Show InChI InChI=1S/C43H66N8O10/c1-10-27(4)35(39(55)46-32(41(57)59-9)22-30-23-44-25-45-30)50-38(54)34(26(2)3)49-37(53)33-24-60-20-16-12-15-19-51(28(5)36(52)47-33)40(56)31(21-29-17-13-11-14-18-29)48-42(58)61-43(6,7)8/h11,13-14,17-18,23,25-28,31-35H,10,12,15-16,19-22,24H2,1-9H3,(H,44,45)(H,46,55)(H,47,52)(H,48,58)(H,49,53)(H,50,54)/t27-,28+,31-,32-,33+,34-,35-/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	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin				J Med Chem 31: 284-95 (1988) BindingDB Entry DOI: 10.7270/Q2S75FBX
					More data for this Ligand-Target Pair