BDBM50195224 CHEMBL3916240

SMILES: Cl.Cl.CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C

InChI Key: InChIKey=ROZFHVBHIGNKRR-RMRYJAPISA-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 = 50195224   

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))	BDBM50195224 (CHEMBL3916240) Show SMILES Cl.Cl.CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r| Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H/t17-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of renin in human plasma by radioimmunoassay				Bioorg Med Chem 24: 5771-5780 (2016) Article DOI: 10.1016/j.bmc.2016.09.030 BindingDB Entry DOI: 10.7270/Q22V2J24
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50195224 (CHEMBL3916240) Show SMILES Cl.Cl.CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r| Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H/t17-;;/m0../s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of cathepsin D (unknown origin)				Bioorg Med Chem 24: 5771-5780 (2016) Article DOI: 10.1016/j.bmc.2016.09.030 BindingDB Entry DOI: 10.7270/Q22V2J24
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50195224 (CHEMBL3916240) Show SMILES Cl.Cl.CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r| Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H/t17-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...				Bioorg Med Chem 24: 5771-5780 (2016) Article DOI: 10.1016/j.bmc.2016.09.030 BindingDB Entry DOI: 10.7270/Q22V2J24
					More data for this Ligand-Target Pair