BDBM82002 CAS_64603-91-4::NSC_3448::THIP

SMILES: O=c1[nH]oc2CNCCc12

InChI Key: InChIKey=ZXRVKCBLGJOCEE-UHFFFAOYSA-N

Data: 9 KI  1 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 10 hits for monomerid = 82002   

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-5 (GABA(A)) (Homo sapiens (Human))	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	46.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2 (Homo sapiens (Human))	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
GABA A Alpha2Beta1Gamma2 (Homo sapiens (Human))	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	871	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									J Pharmacol Exp Ther 233: 597-602 (1985) BindingDB Entry DOI: 10.7270/Q20R9MWQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									J Pharmacol Exp Ther 233: 597-602 (1985) BindingDB Entry DOI: 10.7270/Q20R9MWQ
					More data for this Ligand-Target Pair
GABA-B receptor 1/2 (Rattus norvegicus (Rat))	BDBM82002 (CAS_64603-91-4 | NSC_3448 | THIP) Show SMILES O=c1[nH]oc2CNCCc12 Show InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of Gamma-aminobutyric acid type B receptor of rat cortex				J Med Chem 38: 3287-96 (1995) BindingDB Entry DOI: 10.7270/Q2B858S0
					More data for this Ligand-Target Pair