BDBM50118705 ABT-866::CHEMBL326702::Ethanesulfonic acid [3-(1H-imidazol-4-ylmethyl)-phenyl]-amide::N-(3-((1H-imidazol-4-yl)methyl)phenyl)ethanesulfonamide::N-[3-(1H-imidazol-4-ylmethyl)-phenyl]ethanesulfonamide

SMILES: CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1

InChI Key: InChIKey=ROUIPNDCVDWYEH-UHFFFAOYSA-N

Data: 13 KI  8 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 21 hits for monomerid = 50118705   

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
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) submaxillary gland by radioligand displacement assay				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor ; value ranges from (0.12 - 0.15)				J Med Chem 45: 4395-7 (2002) BindingDB Entry DOI: 10.7270/Q20001FV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Homo sapiens (human) alpha2A receptor				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D (Rattus norvegicus (Rat))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Rattus norvegicus (rat) alpha1D adrenoreceptor by radioligand displacement assay				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards rat cloned Alpha-1D adrenergic receptor ; value ranges from (0.24 -0.32)				J Med Chem 45: 4395-7 (2002) BindingDB Entry DOI: 10.7270/Q20001FV
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards hamster cloned Alpha-1B adrenergic receptor ; value ranges from (0.76 -1.0)				J Med Chem 45: 4395-7 (2002) BindingDB Entry DOI: 10.7270/Q20001FV
					More data for this Ligand-Target Pair
adrenergic Alpha1 (HAMSTER)	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Cricetinae (hamster) alpha1B adrenoreceptor by radioligand displacement assay				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
adrenergic Alpha1 (HAMSTER)	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1B adrenergic receptor of hamster clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (NEONATAL RAT)	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (NEONATAL RAT)	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	977	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Rattus norvegicus (rat) alpha2B receptor isolated from neonatal lung				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic Alpha-1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				Bioorg Med Chem Lett 18: 2930-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.070 BindingDB Entry DOI: 10.7270/Q2VQ33KM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				Bioorg Med Chem Lett 18: 2930-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.070 BindingDB Entry DOI: 10.7270/Q2VQ33KM
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Effective concentration of the compound was determined in vitro against rabbit urethra Alpha-1A adrenergic receptor				J Med Chem 45: 4395-7 (2002) BindingDB Entry DOI: 10.7270/Q20001FV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay				Bioorg Med Chem Lett 18: 2930-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.070 BindingDB Entry DOI: 10.7270/Q2VQ33KM
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	n/a	n/a	692	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair
adrenergic Alpha1 (RABBIT)	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Sinhgad College of Pharmacy Curated by ChEMBL					Assay Description Agonist activity at rabbit urethra adrenergic alpha1A receptor				Bioorg Med Chem 16: 4759-800 (2008) Article DOI: 10.1016/j.bmc.2008.02.091 BindingDB Entry DOI: 10.7270/Q2DV1JPX
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human cloned adrenergic alpha-1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				Bioorg Med Chem Lett 18: 2930-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.070 BindingDB Entry DOI: 10.7270/Q2VQ33KM
					More data for this Ligand-Target Pair
adrenergic Alpha1 (RABBIT)	BDBM50118705 (ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...) Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1 Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	n/a	n/a	603	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at alpha1A adrenoreceptor in Oryctolagus cuniculus (rabbit) urethra				Citation and Details Article DOI: 10.1007/s00044-004-0020-z BindingDB Entry DOI: 10.7270/Q2PZ5CQB
					More data for this Ligand-Target Pair