BDBM50055257 CHEMBL3323662

SMILES: Cc1ccc(cc1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12

InChI Key: InChIKey=NIWPZKYAFLVDMU-KYJSFNMBSA-N

Data: 3 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 3 hits for monomerid = 50055257   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50055257 (CHEMBL3323662) Show SMILES Cc1ccc(cc1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C21H24N2O3S/c1-12-5-7-13(8-6-12)14-3-2-4-16(14)22-11-18(25)15-9-10-17(24)19-20(15)27-21(26)23-19/h5-10,14,16,18,22,24-25H,2-4,11H2,1H3,(H,23,26)/t14-,16-,18+/m1/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	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50055257 (CHEMBL3323662) Show SMILES Cc1ccc(cc1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C21H24N2O3S/c1-12-5-7-13(8-6-12)14-3-2-4-16(14)22-11-18(25)15-9-10-17(24)19-20(15)27-21(26)23-19/h5-10,14,16,18,22,24-25H,2-4,11H2,1H3,(H,23,26)/t14-,16-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50055257 (CHEMBL3323662) Show SMILES Cc1ccc(cc1)[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C21H24N2O3S/c1-12-5-7-13(8-6-12)14-3-2-4-16(14)22-11-18(25)15-9-10-17(24)19-20(15)27-21(26)23-19/h5-10,14,16,18,22,24-25H,2-4,11H2,1H3,(H,23,26)/t14-,16-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	502	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]7-HO-PIPAT from human D3R expressed in HEK cells				Bioorg Med Chem Lett 24: 4341-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R
					More data for this Ligand-Target Pair