BDBM50103893 CHEMBL3343982

SMILES: Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1

InChI Key: InChIKey=LTACTAZJIYCENM-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50103893   

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 alpha1B (Homo sapiens (Human))	BDBM50103893 (CHEMBL3343982) Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50103893 (CHEMBL3343982) Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50103893 (CHEMBL3343982) Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50103893 (CHEMBL3343982) Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50103893 (CHEMBL3343982) Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from human alpha1D adrenergic receptor transfected in COS1 cells				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50103893 (CHEMBL3343982) Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Binding affinity to human alpha1D adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103893 (CHEMBL3343982) Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Binding affinity to human 5HT1A receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103893 (CHEMBL3343982) Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
25288493 Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor transfected in COS1 cells				Bioorg Med Chem 22: 5910-6 (2014) BindingDB Entry DOI: 10.7270/Q2NS0WP5
					More data for this Ligand-Target Pair