Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.5 BDBM50145232

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

Found 6 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
Neuropeptide Y receptor type 5 (Rat 6B)	BDBM50145232 (CHEMBL311229 | {4-[(9-Methyl-4,5-dihydro-6-oxa-3-t...) Show SMILES Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1 Show InChI InChI=1S/C23H29N3O3S/c1-15-4-5-18-17(13-15)21-20(8-12-29-18)30-23(25-21)24-14-16-6-9-26(10-7-16)22(27)19-3-2-11-28-19/h4-5,13,16,19H,2-3,6-12,14H2,1H3,(H,24,25)/t19-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against rat neuropeptide Y5 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50145232 (CHEMBL311229 | {4-[(9-Methyl-4,5-dihydro-6-oxa-3-t...) Show SMILES Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1 Show InChI InChI=1S/C23H29N3O3S/c1-15-4-5-18-17(13-15)21-20(8-12-29-18)30-23(25-21)24-14-16-6-9-26(10-7-16)22(27)19-3-2-11-28-19/h4-5,13,16,19H,2-3,6-12,14H2,1H3,(H,24,25)/t19-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against human neuropeptide Y5 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50145232 (CHEMBL311229 | {4-[(9-Methyl-4,5-dihydro-6-oxa-3-t...) Show SMILES Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1 Show InChI InChI=1S/C23H29N3O3S/c1-15-4-5-18-17(13-15)21-20(8-12-29-18)30-23(25-21)24-14-16-6-9-26(10-7-16)22(27)19-3-2-11-28-19/h4-5,13,16,19H,2-3,6-12,14H2,1H3,(H,24,25)/t19-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against human neuropeptide Y5 receptor measured as Ca+ response				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50145232 (CHEMBL311229 | {4-[(9-Methyl-4,5-dihydro-6-oxa-3-t...) Show SMILES Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1 Show InChI InChI=1S/C23H29N3O3S/c1-15-4-5-18-17(13-15)21-20(8-12-29-18)30-23(25-21)24-14-16-6-9-26(10-7-16)22(27)19-3-2-11-28-19/h4-5,13,16,19H,2-3,6-12,14H2,1H3,(H,24,25)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against rat neuropeptide Y1 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50145232 (CHEMBL311229 | {4-[(9-Methyl-4,5-dihydro-6-oxa-3-t...) Show SMILES Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1 Show InChI InChI=1S/C23H29N3O3S/c1-15-4-5-18-17(13-15)21-20(8-12-29-18)30-23(25-21)24-14-16-6-9-26(10-7-16)22(27)19-3-2-11-28-19/h4-5,13,16,19H,2-3,6-12,14H2,1H3,(H,24,25)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against rat neuropeptide Y2 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50145232 (CHEMBL311229 | {4-[(9-Methyl-4,5-dihydro-6-oxa-3-t...) Show SMILES Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1 Show InChI InChI=1S/C23H29N3O3S/c1-15-4-5-18-17(13-15)21-20(8-12-29-18)30-23(25-21)24-14-16-6-9-26(10-7-16)22(27)19-3-2-11-28-19/h4-5,13,16,19H,2-3,6-12,14H2,1H3,(H,24,25)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against rat neuropeptide Y4 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair