BDBM50458963 CHEMBL4209902

SMILES: COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1

InChI Key: InChIKey=DYQPKOGFUIEBMS-QGZVFWFLSA-N

Data: 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 3 hits for monomerid = 50458963   

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
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50458963 (CHEMBL4209902) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	342	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts-Boston Curated by ChEMBL					Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay				J Med Chem 61: 7785-7795 (2018) Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50458963 (CHEMBL4209902) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts-Boston Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay				J Med Chem 61: 7785-7795 (2018) Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50458963 (CHEMBL4209902) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts-Boston Curated by ChEMBL					Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay				J Med Chem 61: 7785-7795 (2018) Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ
					More data for this Ligand-Target Pair