BDBM351954 US9802904, 68

SMILES: CC(C)c1ccccc1-c1ncc(C)c(NCc2cccnc2)n1

InChI Key: InChIKey=KWIYHCJEZIDWSY-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 2 hits for monomerid = 351954   

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/WD repeat-containing protein 48 (Homo sapiens (Human))	BDBM351954 (US9802904, 68) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2cccnc2)n1 Show InChI InChI=1S/C20H22N4/c1-14(2)17-8-4-5-9-18(17)20-22-11-15(3)19(24-20)23-13-16-7-6-10-21-12-16/h4-12,14H,13H2,1-3H3,(H,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay				J Med Chem 57: 8099-110 (2014) Article DOI: 10.1021/jm5010495 BindingDB Entry DOI: 10.7270/Q24X5BSH
					More data for this Ligand-Target Pair
USP1/UAF1 (Homo sapiens (Human))	BDBM351954 (US9802904, 68) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2cccnc2)n1 Show InChI InChI=1S/C20H22N4/c1-14(2)17-8-4-5-9-18(17)20-22-11-15(3)19(24-20)23-13-16-7-6-10-21-12-16/h4-12,14H,13H2,1-3H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; University of Delaware US Patent					Assay Description This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...				US Patent US9802904 (2017) BindingDB Entry DOI: 10.7270/Q2TF00H8
					More data for this Ligand-Target Pair