BDBM50103891 CHEMBL3343980

SMILES: Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1

InChI Key: InChIKey=WBBAPMUEBOCQHN-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 = 50103891   

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))	BDBM50103891 (CHEMBL3343980) Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(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	151	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))	BDBM50103891 (CHEMBL3343980) Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(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	151	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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50103891 (CHEMBL3343980) Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(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	479	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))	BDBM50103891 (CHEMBL3343980) Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(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	479	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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50103891 (CHEMBL3343980) Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(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	617	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))	BDBM50103891 (CHEMBL3343980) Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(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	617	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50103891 (CHEMBL3343980) Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(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	1.10E+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))	BDBM50103891 (CHEMBL3343980) Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(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	1.10E+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