BDBM50510896 CHEMBL4465959

SMILES: COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1

InChI Key: InChIKey=XRNYMDLTXKVPLN-DAFNUICNSA-N

Data: 2 KI  4 IC50

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 6 hits for monomerid = 50510896   

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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510896 (CHEMBL4465959) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1 Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50510896 (CHEMBL4465959) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1 Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation cou...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50510896 (CHEMBL4465959) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1 Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510896 (CHEMBL4465959) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1 Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510896 (CHEMBL4465959) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1 Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50510896 (CHEMBL4465959) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1 Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by micro...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046
					More data for this Ligand-Target Pair