BDBM50167939 3,4-DNH::5-Hydroxy Tryptamine::BM 613::Benzen::Benzine::Benzol::Bicarburet of hydrogen::CHEMBL277500::Cc-34,(+/-)::Coal naphtha::Mineral naphtha::Phene::Pyrobenzol::Pyrobenzole::[6]annulene::benzene::benzole::cyclohexatriene::erythro-Phenyl-2-piperidyl-carbinol,(-)::phenyl hydride::trans-N, N-Dimethylphenylcyclopropylamine::trans-N-Methylphenylcyclopropylamine

SMILES: c1ccccc1

InChI Key: InChIKey=UHOVQNZJYSORNB-UHFFFAOYSA-N

Data: 11 KI  4 Kd

PDB links: 1 PDB ID matches this monomer.

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 15 hits for monomerid = 50167939   

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
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Mol Pharmacol 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Catholique de Louvain Curated by PDSP Ki Database									Life Sci 37: 1971-83 (1985) Article DOI: 10.1016/0024-3205(85)90028-1 BindingDB Entry DOI: 10.7270/Q2HX1B5B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Life Sci 19: 69-76 (1976) Article DOI: 10.1016/0024-3205(76)90375-1 BindingDB Entry DOI: 10.7270/Q23B5XNK
					More data for this Ligand-Target Pair
Endolysin [L99A] (Enterobacteria phage T4)	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Dissociation constant against T4 lysozyme mutant L99A				J Med Chem 48: 3714-28 (2005) Article DOI: 10.1021/jm0491187 BindingDB Entry DOI: 10.7270/Q2VT1SW6
					More data for this Ligand-Target Pair
Endolysin (Enterobacteria phage T4)	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	4.80E+5	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...				J Med Chem 56: 2874-84 (2013) Article DOI: 10.1021/jm301823g BindingDB Entry DOI: 10.7270/Q2ZC85SH
					More data for this Ligand-Target Pair
Endolysin (Enterobacteria phage T4)	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102E double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorim...				J Med Chem 56: 2874-84 (2013) Article DOI: 10.1021/jm301823g BindingDB Entry DOI: 10.7270/Q2ZC85SH
					More data for this Ligand-Target Pair
Endolysin (Enterobacteria phage T4)	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Binding affinity to Enterobacteria phage T4 lysozyme L99A mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry				J Med Chem 56: 2874-84 (2013) Article DOI: 10.1021/jm301823g BindingDB Entry DOI: 10.7270/Q2ZC85SH
					More data for this Ligand-Target Pair