BDBM16752 2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(diaminomethylidene)acetamide::Acylguanidine, 7b

SMILES: NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1

InChI Key: InChIKey=FJIMRIOSHHZOSF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 16752   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) Show SMILES NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:18:13:16.15.21,17:16:13:18.19.20| Show InChI InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	4.5	22
Wyeth Research					Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...				J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) Show SMILES NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:18:13:16.15.21,17:16:13:18.19.20| Show InChI InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	4.5	22
Wyeth Research					Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...				J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) Show SMILES NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:18:13:16.15.21,17:16:13:18.19.20| Show InChI InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 767-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.043 BindingDB Entry DOI: 10.7270/Q27S7PK8
					More data for this Ligand-Target Pair
Pepsin (Homo sapiens (Human))	BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) Show SMILES NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:18:13:16.15.21,17:16:13:18.19.20| Show InChI InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	4.5	22
Wyeth Research					Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...				J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) Show SMILES NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:18:13:16.15.21,17:16:13:18.19.20| Show InChI InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 767-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.043 BindingDB Entry DOI: 10.7270/Q27S7PK8
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM16752 (2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-(...) Show SMILES NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:18:13:16.15.21,17:16:13:18.19.20| Show InChI InChI=1S/C23H28N4O/c24-22(25)26-21(28)14-27-19(18-4-2-1-3-5-18)6-7-20(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H4,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	4.5	22
Wyeth Research					Assay Description A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage o...				J Med Chem 49: 6158-61 (2006) Article DOI: 10.1021/jm0607451 BindingDB Entry DOI: 10.7270/Q2M043NG
					More data for this Ligand-Target Pair