BDBM325039 9-(3-(3-(dimethylamino)propoxy)benzyl)-2-(2-::US10189841, Compound I-245::US10399980, Compound I-245

SMILES: CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3cccc(OCCCN(C)C)c3)c2n1

InChI Key: InChIKey=NJDCDGOENMQFFB-UHFFFAOYSA-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 3 hits for monomerid = 325039   

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
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM325039 (9-(3-(3-(dimethylamino)propoxy)benzyl)-2-(2- | US1...) Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3cccc(OCCCN(C)C)c3)c2n1 Show InChI InChI=1S/C27H33N5O2/c1-19(2)22-12-6-7-13-23(22)25-28-17-24-26(29-25)32(27(33)31(24)5)18-20-10-8-11-21(16-20)34-15-9-14-30(3)4/h6-8,10-13,16-17,19H,9,14-15,18H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics, Inc. US Patent					Assay Description The HTS assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning...				US Patent US10189841 (2019) BindingDB Entry DOI: 10.7270/Q22R3TRR
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM325039 (9-(3-(3-(dimethylamino)propoxy)benzyl)-2-(2- | US1...) Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3cccc(OCCCN(C)C)c3)c2n1 Show InChI InChI=1S/C27H33N5O2/c1-19(2)22-12-6-7-13-23(22)25-28-17-24-26(29-25)32(27(33)31(24)5)18-20-10-8-11-21(16-20)34-15-9-14-30(3)4/h6-8,10-13,16-17,19H,9,14-15,18H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM325039 (9-(3-(3-(dimethylamino)propoxy)benzyl)-2-(2- | US1...) Show SMILES CC(C)c1ccccc1-c1ncc2n(C)c(=O)n(Cc3cccc(OCCCN(C)C)c3)c2n1 Show InChI InChI=1S/C27H33N5O2/c1-19(2)22-12-6-7-13-23(22)25-28-17-24-26(29-25)32(27(33)31(24)5)18-20-10-8-11-21(16-20)34-15-9-14-30(3)4/h6-8,10-13,16-17,19H,9,14-15,18H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics, Inc. US Patent					Assay Description The HTS assay was performed in a final volume of 20 μL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning...				US Patent US10399980 (2019) BindingDB Entry DOI: 10.7270/Q23J3GCX
					More data for this Ligand-Target Pair