Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 492.5 BDBM50284690Purchase

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

Found 11 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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Adenosine A1 receptor				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against muscarinic receptor				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Alpha-2 adrenergic receptor				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Beta adrenergic receptor				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Opioid receptor mu 1				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Dopamine receptor D2				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50284690 (1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...) Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1 Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against H1 receptor				Bioorg Med Chem Lett 5: 1377-1382 (1995) Article DOI: 10.1016/0960-894X(95)00227-K BindingDB Entry DOI: 10.7270/Q2M045D5
					More data for this Ligand-Target Pair