BDBM50523359 CHEMBL4466677

SMILES: COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1

InChI Key: InChIKey=FBWZMWVPZRCOTO-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50523359   

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
Adrenergic receptor (Homo sapiens (Human))	BDBM50523359 (CHEMBL4466677) Show SMILES COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]Prazosin from human recombinant alpha 1D adrenergic receptor expressed in CHO cells incubated for 30 mins by radioligand competit...				Eur J Med Chem 168: 461-473 (2019) Article DOI: 10.1016/j.ejmech.2019.02.056
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50523359 (CHEMBL4466677) Show SMILES COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]Prazosin from human recombinant alpha 1A adrenergic receptor expressed in CHO cells incubated for 30 mins by radioligand competit...				Eur J Med Chem 168: 461-473 (2019) Article DOI: 10.1016/j.ejmech.2019.02.056
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50523359 (CHEMBL4466677) Show SMILES COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in human HeLa cells incubated for 30 mins by radioligand competition ...				Eur J Med Chem 168: 461-473 (2019) Article DOI: 10.1016/j.ejmech.2019.02.056
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50523359 (CHEMBL4466677) Show SMILES COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]Prazosin from human recombinant alpha 1B adrenergic receptor expressed in CHO cells incubated for 30 mins by radioligand competit...				Eur J Med Chem 168: 461-473 (2019) Article DOI: 10.1016/j.ejmech.2019.02.056
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50523359 (CHEMBL4466677) Show SMILES COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...				Eur J Med Chem 168: 461-473 (2019) Article DOI: 10.1016/j.ejmech.2019.02.056
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50523359 (CHEMBL4466677) Show SMILES COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...				Eur J Med Chem 168: 461-473 (2019) Article DOI: 10.1016/j.ejmech.2019.02.056
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50523359 (CHEMBL4466677) Show SMILES COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation c...				Eur J Med Chem 168: 461-473 (2019) Article DOI: 10.1016/j.ejmech.2019.02.056
					More data for this Ligand-Target Pair