BDBM50325274 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol::4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol(Dobutamine)::CHEMBL926::DOBUTAMINE::Dobutrex::cid_36811

SMILES: CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1

InChI Key: InChIKey=JRWZLRBJNMZMFE-UHFFFAOYSA-N

Data: 13 KI  3 IC50  2 EC50

PDB links: 3 PDB IDs match 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 18 hits for monomerid = 50325274   

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
Carbonic anhydrase 15 (Mus musculus)	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	4.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	8.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	9.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	9.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	9.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...				Hepatology 60: 1015-22 (2014) Article DOI: 10.1002/hep.27206 BindingDB Entry DOI: 10.7270/Q2TF00N2
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Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay				J Med Chem 60: 2685-2696 (2017) Article DOI: 10.1021/acs.jmedchem.6b01317 BindingDB Entry DOI: 10.7270/Q2NV9MHQ
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Bile salt export pump (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
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Mu-type opioid receptor (Homo sapiens (Human))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2833QNG
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5-hydroxytryptamine receptor 2A (5HT2A) (Mus musculus (Mouse))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	7.61E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q24B2ZZ6
					More data for this Ligand-Target Pair