BDBM50418954 CHEMBL1807827

SMILES: O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12

InChI Key: InChIKey=HZLLPPSEGLYDSB-IBGZPJMESA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50418954   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418954 (CHEMBL1807827) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50418954 (CHEMBL1807827) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to dopamine 2 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50418954 (CHEMBL1807827) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta1 receptor				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50418954 (CHEMBL1807827) Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as stimulation of cAMP accumulation after 60 mins				Bioorg Med Chem Lett 21: 4612-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.097 BindingDB Entry DOI: 10.7270/Q2QV3NS2
					More data for this Ligand-Target Pair