BDBM50504810 CHEMBL4442855

SMILES: Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1

InChI Key: InChIKey=VTRMFVAGEAFJTR-UHFFFAOYSA-N

Data: 5 KI  2 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 7 hits for monomerid = 50504810   

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 6 (Homo sapiens (Human))	BDBM50504810 (CHEMBL4442855) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1 Show InChI InChI=1S/C20H18FN3O2/c21-15-9-18-14(10-23-20(18)24-11-15)7-8-22-12-17-5-6-19(26-17)13-1-3-16(25)4-2-13/h1-6,9-11,22,25H,7-8,12H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50504810 (CHEMBL4442855) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1 Show InChI InChI=1S/C20H18FN3O2/c21-15-9-18-14(10-23-20(18)24-11-15)7-8-22-12-17-5-6-19(26-17)13-1-3-16(25)4-2-13/h1-6,9-11,22,25H,7-8,12H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Polish Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to human 5-HT2AR expressed in HEK293 cells by competitive binding assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50504810 (CHEMBL4442855) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1 Show InChI InChI=1S/C20H18FN3O2/c21-15-9-18-14(10-23-20(18)24-11-15)7-8-22-12-17-5-6-19(26-17)13-1-3-16(25)4-2-13/h1-6,9-11,22,25H,7-8,12H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-raclopride from human D2R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50504810 (CHEMBL4442855) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1 Show InChI InChI=1S/C20H18FN3O2/c21-15-9-18-14(10-23-20(18)24-11-15)7-8-22-12-17-5-6-19(26-17)13-1-3-16(25)4-2-13/h1-6,9-11,22,25H,7-8,12H2,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by microbeta plate reader analysis				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50504810 (CHEMBL4442855) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1 Show InChI InChI=1S/C20H18FN3O2/c21-15-9-18-14(10-23-20(18)24-11-15)7-8-22-12-17-5-6-19(26-17)13-1-3-16(25)4-2-13/h1-6,9-11,22,25H,7-8,12H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by microbeta plate reader analysis				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50504810 (CHEMBL4442855) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1 Show InChI InChI=1S/C20H18FN3O2/c21-15-9-18-14(10-23-20(18)24-11-15)7-8-22-12-17-5-6-19(26-17)13-1-3-16(25)4-2-13/h1-6,9-11,22,25H,7-8,12H2,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 preincubated for 5 mins followed by NADPH addition and measured after 45 mins by luminescence based microplate reader anal...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50504810 (CHEMBL4442855) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1 Show InChI InChI=1S/C20H18FN3O2/c21-15-9-18-14(10-23-20(18)24-11-15)7-8-22-12-17-5-6-19(26-17)13-1-3-16(25)4-2-13/h1-6,9-11,22,25H,7-8,12H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 preincubated for 5 mins followed by NADPH addition and measured after 30 mins by luminescence based microplate reader anal...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857
					More data for this Ligand-Target Pair