BDBM50423297 CHEMBL251541::Obelin

SMILES: COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12

InChI Key: InChIKey=INULNSAIIZKOQE-YOSAUDMPSA-N

Data: 12 Kd

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 12 hits for monomerid = 50423297   

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
SSTR1 (RAT)	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.708	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]SRIF14 from sst1 receptor in rat brain cortex membrane				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant sst4 receptor				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair
SSTR2 (RAT)	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.71E+3	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant sst3 receptor				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human dopamine D4 receptor				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair
SSTR1 (RAT)	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.708	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane				Bioorg Med Chem Lett 17: 3988-91 (2007) Article DOI: 10.1016/j.bmcl.2007.04.078 BindingDB Entry DOI: 10.7270/Q2SX6FHF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/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	n/a	112	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human 5HT1D receptor				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/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	n/a	224	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human adrenergic beta-1 receptor				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant sst5 receptor				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant sst2 receptor				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair
SSTR2 (RAT)	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]SRIF14 from rat sst2 receptor from rat brain cortex membrane				Bioorg Med Chem Lett 17: 3988-91 (2007) Article DOI: 10.1016/j.bmcl.2007.04.078 BindingDB Entry DOI: 10.7270/Q2SX6FHF
					More data for this Ligand-Target Pair
Somatostatin receptor type 1 (Homo sapiens (Human))	BDBM50423297 (CHEMBL251541 | Obelin) Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12 Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant sst1 receptor				Bioorg Med Chem Lett 17: 3983-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.086 BindingDB Entry DOI: 10.7270/Q2XP7675
					More data for this Ligand-Target Pair