BDBM50504439 CHEMBL4515160

SMILES: Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1

InChI Key: InChIKey=XKIVNUFBPASSIA-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 = 50504439   

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))	BDBM50504439 (CHEMBL4515160) Show SMILES Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1 Show InChI InChI=1S/C29H30F2N4O2/c30-19-3-5-26-21(13-19)24(16-32-26)18-7-11-34(12-8-18)9-1-2-10-35-28(36)15-23(29(35)37)25-17-33-27-6-4-20(31)14-22(25)27/h3-6,13-14,16-18,23,32-33H,1-2,7-12,15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	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))	BDBM50504439 (CHEMBL4515160) Show SMILES Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1 Show InChI InChI=1S/C29H30F2N4O2/c30-19-3-5-26-21(13-19)24(16-32-26)18-7-11-34(12-8-18)9-1-2-10-35-28(36)15-23(29(35)37)25-17-33-27-6-4-20(31)14-22(25)27/h3-6,13-14,16-18,23,32-33H,1-2,7-12,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	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))	BDBM50504439 (CHEMBL4515160) Show SMILES Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1 Show InChI InChI=1S/C29H30F2N4O2/c30-19-3-5-26-21(13-19)24(16-32-26)18-7-11-34(12-8-18)9-1-2-10-35-28(36)15-23(29(35)37)25-17-33-27-6-4-20(31)14-22(25)27/h3-6,13-14,16-18,23,32-33H,1-2,7-12,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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 6 (Homo sapiens (Human))	BDBM50504439 (CHEMBL4515160) Show SMILES Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1 Show InChI InChI=1S/C29H30F2N4O2/c30-19-3-5-26-21(13-19)24(16-32-26)18-7-11-34(12-8-18)9-1-2-10-35-28(36)15-23(29(35)37)25-17-33-27-6-4-20(31)14-22(25)27/h3-6,13-14,16-18,23,32-33H,1-2,7-12,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	301	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 7 (Homo sapiens (Human))	BDBM50504439 (CHEMBL4515160) Show SMILES Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1 Show InChI InChI=1S/C29H30F2N4O2/c30-19-3-5-26-21(13-19)24(16-32-26)18-7-11-34(12-8-18)9-1-2-10-35-28(36)15-23(29(35)37)25-17-33-27-6-4-20(31)14-22(25)27/h3-6,13-14,16-18,23,32-33H,1-2,7-12,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.16E+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 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 2A (Homo sapiens (Human))	BDBM50504439 (CHEMBL4515160) Show SMILES Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1 Show InChI InChI=1S/C29H30F2N4O2/c30-19-3-5-26-21(13-19)24(16-32-26)18-7-11-34(12-8-18)9-1-2-10-35-28(36)15-23(29(35)37)25-17-33-27-6-4-20(31)14-22(25)27/h3-6,13-14,16-18,23,32-33H,1-2,7-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.94E+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]-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