BDBM50526014 CHEMBL4469813

SMILES: COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O

InChI Key: InChIKey=LMKOKEWRSZSLAW-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 = 50526014   

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 2A (Homo sapiens (Human))	BDBM50526014 (CHEMBL4469813) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	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 recombinant human 5HT2A receptor expressed in HEK293 cells measured after 1.5 hrs by microbeta scintillation cou...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526014 (CHEMBL4469813) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	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]-citalopram from SERT in rat cortex tissue measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526014 (CHEMBL4469813) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	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 recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50526014 (CHEMBL4469813) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.13E+3	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 recombinant human D2 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting ...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50526014 (CHEMBL4469813) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.71E+3	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 recombinant human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting analy...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50526014 (CHEMBL4469813) Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H34N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-5,10-16,19,21,24,33H,6-9,17-18,20,22H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.92E+3	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 recombinant human 5HT7 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting anal...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031
					More data for this Ligand-Target Pair