BDBM50473678 CHEMBL306792

SMILES: CSc1cc(F)ccc1NCC1=NCCN1

InChI Key: InChIKey=XBBHVMXFPPVGMX-UHFFFAOYSA-N

Data: 6 KI  5 EC50

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 11 hits for monomerid = 50473678   

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))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-1D adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-1B adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to Alpha-1 adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-2A adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-2C adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	851	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Affinity to human Alpha-2B adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1D adrenergic receptor				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.80	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-1 adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1 adrenergic receptor				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-2C adrenergic receptor assayed in CHO cells expressing human Alpha-2C adrenergic receptor				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-2A stably expressed in CHO cells.				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50473678 (CHEMBL306792) Show SMILES CSc1cc(F)ccc1NCC1=NCCN1 |t:12| Show InChI InChI=1S/C11H14FN3S/c1-16-10-6-8(12)2-3-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Laboratories Curated by ChEMBL					Assay Description Agonist potency at Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts				J Med Chem 45: 2229-39 (2002) Article DOI: 10.1021/jm000542r BindingDB Entry DOI: 10.7270/Q2NG4TCQ
					More data for this Ligand-Target Pair