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SMILES: CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50586865   

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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant PARP2 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by ELISA				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	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	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant PLK1 (unknown origin) using lipid substrate measured after 40 mins by ADP-glo luminescence kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	381	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRD2 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRD2 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P300 (unknown orign) using acetyl-CoA as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by micro...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRD3 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRD4 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRD4 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRDT BD1 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRDT BD2 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRD1 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM50586865 (CHEMBL5084388) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant BRD3 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01535 BindingDB Entry DOI: 10.7270/Q22N566V
					More data for this Ligand-Target Pair