BDBM50075897 CHEMBL84190::N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(3-octyl-2-oxo-imidazolidin-1-yl)-benzenesulfonamide::N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(3-octyl-2-oxo-imidazolidin-1-yl)-benzenesulfonamide

SMILES: CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1

InChI Key: InChIKey=SNWNTDPDTKRCGC-HKBQPEDESA-N

Data: 4 IC50  4 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 = 50075897   

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))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol				Bioorg Med Chem Lett 9: 755-8 (1999) BindingDB Entry DOI: 10.7270/Q2Z60N7C
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.57E+8	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration against beta-3 adrenergic receptor.				Bioorg Med Chem Lett 13: 2481-4 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MK6
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration against beta-3 adrenergic receptor.				Bioorg Med Chem Lett 13: 2481-4 (2003) BindingDB Entry DOI: 10.7270/Q2GT5MK6
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 755-8 (1999) BindingDB Entry DOI: 10.7270/Q2Z60N7C
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 755-8 (1999) BindingDB Entry DOI: 10.7270/Q2Z60N7C
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075897 (CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 749-54 (1999) BindingDB Entry DOI: 10.7270/Q22Z14QB
					More data for this Ligand-Target Pair