BDBM50245225 CHEMBL4099097

SMILES: CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=KMESDCFVSCNOKG-UHFFFAOYSA-N

Data: 2 IC50  2 Kd  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 8 hits for monomerid = 50245225   

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
DCN1-like protein 1 (Homo sapiens)	BDBM50245225 (CHEMBL4099097 | US11116757, No. A15) Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET a...				J Med Chem 61: 2694-2706 (2018) Article DOI: 10.1021/acs.jmedchem.7b01282 BindingDB Entry DOI: 10.7270/Q22V2JHZ
					More data for this Ligand-Target Pair
NEDD8-conjugating enzyme Ubc12 (Homo sapiens)	BDBM50245225 (CHEMBL4099097 | US11116757, No. A15) Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to N-terminally acetylated human UBE2M				J Med Chem 61: 2680-2693 (2018) Article DOI: 10.1021/acs.jmedchem.7b01277 BindingDB Entry DOI: 10.7270/Q29K4DVZ
					More data for this Ligand-Target Pair
DCN1-like protein 1 (Homo sapiens)	BDBM50245225 (CHEMBL4099097 | US11116757, No. A15) Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human DCN1-mediated cullin neddylation assessed as reduction in transfer of fluorescein-5-maleimide-tagged NEDD8 from N-terminally acet...				J Med Chem 61: 2680-2693 (2018) Article DOI: 10.1021/acs.jmedchem.7b01277 BindingDB Entry DOI: 10.7270/Q29K4DVZ
					More data for this Ligand-Target Pair
DCN1-UBC12 (Homo sapiens)	BDBM50245225 (CHEMBL4099097 | US11116757, No. A15) Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DCN1-like protein 1 (Homo sapiens)	BDBM50245225 (CHEMBL4099097 | US11116757, No. A15) Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity biotinylated human GST-tagged DCN1 by ITC method				J Med Chem 61: 2680-2693 (2018) Article DOI: 10.1021/acs.jmedchem.7b01277 BindingDB Entry DOI: 10.7270/Q29K4DVZ
					More data for this Ligand-Target Pair
DCN1-UBC12 (Homo sapiens)	BDBM50245225 (CHEMBL4099097 | US11116757, No. A15) Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	88.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DCN1-UBC12 (Homo sapiens)	BDBM50245225 (CHEMBL4099097 | US11116757, No. A15) Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DCN1-like protein 1 (Homo sapiens)	BDBM50245225 (CHEMBL4099097 | US11116757, No. A15) Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity biotinylated human GST-tagged DCN1 assessed as inhibition of protein interaction with AlexaFluor 488-tagged and N-terminally acetyla...				J Med Chem 61: 2680-2693 (2018) Article DOI: 10.1021/acs.jmedchem.7b01277 BindingDB Entry DOI: 10.7270/Q29K4DVZ
					More data for this Ligand-Target Pair