Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 401.4 BDBM81814Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 12 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-2C adrenergic receptor (RAT)	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (RAT)	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00633 BindingDB Entry DOI: 10.7270/Q26M3BS8
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (NEONATAL RAT)	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP Ki Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (RAT)	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (OK)	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP Ki Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (RAT)	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP Ki Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP Ki Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM81814 (5H-THIAZOLO[3,2A]PYRIMIDIN-5-ONE, 6-[2-[4-(4-FLUOR...) Show SMILES Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by PDSP Ki Database									J Pharmacol Exp Ther 264: 1002-11 (1993) BindingDB Entry DOI: 10.7270/Q2T1525C
					More data for this Ligand-Target Pair