BDBM50504436 CHEMBL4591440

SMILES: COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1

InChI Key: InChIKey=GMZFSWRYUFGKAO-UHFFFAOYSA-N

Data: 6 KI

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 = 50504436   

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 1A (Homo sapiens (Human))	BDBM50504436 (CHEMBL4591440) Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1 Show InChI InChI=1S/C31H36N4O4/c1-38-21-5-7-28-23(15-21)26(18-32-28)20-9-13-34(14-10-20)11-3-4-12-35-30(36)17-25(31(35)37)27-19-33-29-8-6-22(39-2)16-24(27)29/h5-8,15-16,18-20,25,32-33H,3-4,9-14,17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111736
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50504436 (CHEMBL4591440) Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1 Show InChI InChI=1S/C31H36N4O4/c1-38-21-5-7-28-23(15-21)26(18-32-28)20-9-13-34(14-10-20)11-3-4-12-35-30(36)17-25(31(35)37)27-19-33-29-8-6-22(39-2)16-24(27)29/h5-8,15-16,18-20,25,32-33H,3-4,9-14,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111736
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50504436 (CHEMBL4591440) Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1 Show InChI InChI=1S/C31H36N4O4/c1-38-21-5-7-28-23(15-21)26(18-32-28)20-9-13-34(14-10-20)11-3-4-12-35-30(36)17-25(31(35)37)27-19-33-29-8-6-22(39-2)16-24(27)29/h5-8,15-16,18-20,25,32-33H,3-4,9-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK293 cells membranes incubated for 30 mins by microbeta scintillation...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111736
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50504436 (CHEMBL4591440) Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1 Show InChI InChI=1S/C31H36N4O4/c1-38-21-5-7-28-23(15-21)26(18-32-28)20-9-13-34(14-10-20)11-3-4-12-35-30(36)17-25(31(35)37)27-19-33-29-8-6-22(39-2)16-24(27)29/h5-8,15-16,18-20,25,32-33H,3-4,9-14,17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111736
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50504436 (CHEMBL4591440) Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1 Show InChI InChI=1S/C31H36N4O4/c1-38-21-5-7-28-23(15-21)26(18-32-28)20-9-13-34(14-10-20)11-3-4-12-35-30(36)17-25(31(35)37)27-19-33-29-8-6-22(39-2)16-24(27)29/h5-8,15-16,18-20,25,32-33H,3-4,9-14,17H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111736
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50504436 (CHEMBL4591440) Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1 Show InChI InChI=1S/C31H36N4O4/c1-38-21-5-7-28-23(15-21)26(18-32-28)20-9-13-34(14-10-20)11-3-4-12-35-30(36)17-25(31(35)37)27-19-33-29-8-6-22(39-2)16-24(27)29/h5-8,15-16,18-20,25,32-33H,3-4,9-14,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in rat cortex tissue incubated for 30 mins by liquid scintillation counting meth...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111736
					More data for this Ligand-Target Pair