BDBM50069762 CHEMBL3182437::ML323::US9802904, 87

SMILES: CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1

InChI Key: InChIKey=VUIRVWPJNKZOSS-UHFFFAOYSA-N

Data: 11 IC50  1 EC50

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 12 hits for monomerid = 50069762   

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 2 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.14E+5	n/a	n/a	n/a	n/a	7.5	25
University of Delaware					Assay Description Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...				ACS Chem Biol 12: 2399-2407 (2017) Article DOI: 10.1021/acschembio.7b00543 BindingDB Entry DOI: 10.7270/Q21J97WD
					More data for this Ligand-Target Pair
Ubiquitin C-terminal Hydrolase L3 (UCH-L3) (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.14E+5	n/a	n/a	n/a	n/a	7.5	25
University of Delaware					Assay Description Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...				ACS Chem Biol 12: 2399-2407 (2017) Article DOI: 10.1021/acschembio.7b00543 BindingDB Entry DOI: 10.7270/Q21J97WD
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L5 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.14E+5	n/a	n/a	n/a	n/a	7.5	25
University of Delaware					Assay Description Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...				ACS Chem Biol 12: 2399-2407 (2017) Article DOI: 10.1021/acschembio.7b00543 BindingDB Entry DOI: 10.7270/Q21J97WD
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of USP1 (unknown origin) by Ub-Rho110 assay				J Med Chem 58: 1581-95 (2015) Article DOI: 10.1021/jm501061a BindingDB Entry DOI: 10.7270/Q29025GH
					More data for this Ligand-Target Pair
USP1/UAF1 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	76	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
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human USP1/UAF1 in human H1299 cells assessed as reduction in colony formation after 7 days				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
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 (Homo sapiens (Human))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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))	BDBM50069762 (CHEMBL3182437 | ML323 | US9802904, 87) Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	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