BDBM86521 CAS_5719::NSC_5719::Zaleplon

SMILES: CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N

InChI Key: InChIKey=HUNXMJYCHXQEGX-UHFFFAOYSA-N

Data: 5 KI  4 IC50  3 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 = 86521   

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
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	45.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 311: 537-46 (2004) Article DOI: 10.1124/jpet.104.071282 BindingDB Entry DOI: 10.7270/Q2VH5MD8
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	59.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 311: 537-46 (2004) Article DOI: 10.1124/jpet.104.071282 BindingDB Entry DOI: 10.7270/Q2VH5MD8
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	68.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 311: 537-46 (2004) Article DOI: 10.1124/jpet.104.071282 BindingDB Entry DOI: 10.7270/Q2VH5MD8
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	81.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 311: 537-46 (2004) Article DOI: 10.1124/jpet.104.071282 BindingDB Entry DOI: 10.7270/Q2VH5MD8
					More data for this Ligand-Target Pair
Aldehyde oxidase (Homo sapiens (Human))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	8.30E+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 aldehyde oxidase in human liver cytosol assessed as production of oxozoniporide				Drug Metab Dispos 40: 1441-8 (2012) Article DOI: 10.1124/dmd.112.045195 BindingDB Entry DOI: 10.7270/Q2NK3GSM
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Modulation of human GABAA alpha3beta3gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents				J Med Chem 56: 593-624 (2013) Article DOI: 10.1021/jm3011433 BindingDB Entry DOI: 10.7270/Q23B61GZ
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Modulation of human GABA-A alpha1beta2gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents				J Med Chem 56: 593-624 (2013) Article DOI: 10.1021/jm3011433 BindingDB Entry DOI: 10.7270/Q23B61GZ
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM86521 (CAS_5719 | NSC_5719 | Zaleplon) Show SMILES CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N Show InChI InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Modulation of human GABAA alpha2beta3gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents				J Med Chem 56: 593-624 (2013) Article DOI: 10.1021/jm3011433 BindingDB Entry DOI: 10.7270/Q23B61GZ
					More data for this Ligand-Target Pair