BDBM50093039 4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylamine::CHEMBL307647

SMILES: COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I

InChI Key: InChIKey=OIXLSYRKUYDFOB-UHFFFAOYSA-N

Data: 3 KI  2 IC50  3 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 8 hits for monomerid = 50093039   

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))	BDBM50093039 (4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Curated by ChEMBL					Assay Description Binding Affinity against human Beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand				J Med Chem 42: 2287-94 (1999) Article DOI: 10.1021/jm990012z BindingDB Entry DOI: 10.7270/Q2057JN4
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50093039 (4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Curated by ChEMBL					Assay Description Binding Affinity against human Beta-1 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand				J Med Chem 42: 2287-94 (1999) Article DOI: 10.1021/jm990012z BindingDB Entry DOI: 10.7270/Q2057JN4
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50093039 (4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Curated by ChEMBL					Assay Description Binding Affinity against human Beta-3 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand				J Med Chem 42: 2287-94 (1999) Article DOI: 10.1021/jm990012z BindingDB Entry DOI: 10.7270/Q2057JN4
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50093039 (4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Percent adenylyl cyclase activation at 10000 nM of compound concentration				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50093039 (4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human Beta-1 adrenergic receptor in the presence of [125I]...				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50093039 (4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human beta3 adrenergic receptor (AR)				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50093039 (4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Percent adenylyl cyclase activation at 10000 nM of compound concentration				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50093039 (4-(3,5-Diiodo-4-methoxy-benzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1c(I)cc(CC2NCCc3nc(N)sc23)cc1I Show InChI InChI=1S/C14H15I2N3OS/c1-20-12-8(15)4-7(5-9(12)16)6-11-13-10(2-3-18-11)19-14(17)21-13/h4-5,11,18H,2-3,6H2,1H3,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against CHO cells expressing human Beta-2 adrenergic receptor with [125I]-iodocyanopindolol				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair