Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 453.5 BDBM50158601

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

Found 16 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
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to rat cortical histamine H3 receptor				J Med Chem 54: 26-53 (2011) Article DOI: 10.1021/jm100064d BindingDB Entry DOI: 10.7270/Q2VQ33RV
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptor				J Med Chem 48: 38-55 (2005) Article DOI: 10.1021/jm040118g BindingDB Entry DOI: 10.7270/Q2571CST
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Histamine receptor H3 (Dog)	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor				J Med Chem 48: 38-55 (2005) Article DOI: 10.1021/jm040118g BindingDB Entry DOI: 10.7270/Q2571CST
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				J Med Chem 54: 26-53 (2011) Article DOI: 10.1021/jm100064d BindingDB Entry DOI: 10.7270/Q2VQ33RV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50158601 (A-317920 | CHEMBL361355 | Furan-2-carboxylic acid ...) Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1 Show InChI InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 887-96 (2003) Article DOI: 10.1124/jpet.102.047183 BindingDB Entry DOI: 10.7270/Q22J69FK
					More data for this Ligand-Target Pair