BDBM50275436 CHEMBL4128250

SMILES: COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1

InChI Key: InChIKey=OKTGXQMSOIQCTJ-HXUWFJFHSA-N

Data: 2 KI  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 5 hits for monomerid = 50275436   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50275436 (CHEMBL4128250) Show SMILES COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,5,7-9,11-12,14,16,20,25H,4,6,10,13,15,17H2,1H3/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of dofetilide binding to human ERG by fluorescence polarization assay				J Med Chem 61: 5704-5718 (2018) Article DOI: 10.1021/acs.jmedchem.8b00650 BindingDB Entry DOI: 10.7270/Q28C9ZRR
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50275436 (CHEMBL4128250) Show SMILES COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,5,7-9,11-12,14,16,20,25H,4,6,10,13,15,17H2,1H3/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Bioorg Med Chem Lett 28: 3685-3688 (2018) Article DOI: 10.1016/j.bmcl.2018.10.029
					More data for this Ligand-Target Pair
Subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50275436 (CHEMBL4128250) Show SMILES COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,5,7-9,11-12,14,16,20,25H,4,6,10,13,15,17H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant PCSK9 expressed in CHO-K1 cells assessed as alkaline phosphatase secretion incubated overnight and measured after 3 d...				Eur J Med Chem 162: 212-233 (2019) Article DOI: 10.1016/j.ejmech.2018.11.011
					More data for this Ligand-Target Pair
Subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50275436 (CHEMBL4128250) Show SMILES COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,5,7-9,11-12,14,16,20,25H,4,6,10,13,15,17H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant full length ProLabel-tagged PCSK9 expressed in CHO-K1 cells incubated overnight and measured after 3 days by chemilum...				Eur J Med Chem 162: 212-233 (2019) Article DOI: 10.1016/j.ejmech.2018.11.011
					More data for this Ligand-Target Pair
Subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50275436 (CHEMBL4128250) Show SMILES COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,5,7-9,11-12,14,16,20,25H,4,6,10,13,15,17H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant full length ProLabel-tagged PCSK9 expressed in CHO-K1 cells incubated overnight and measured after 3 days by HTS assa...				Eur J Med Chem 162: 212-233 (2019) Article DOI: 10.1016/j.ejmech.2018.11.011
					More data for this Ligand-Target Pair