Compounds in cluster

28 molecules are shown

Wt: 305.7 BDBM60917 Purchase	Wt: 242.2 BDBM81348 Purchase	Wt: 270.2 BDBM50009001 Purchase	Wt: 280.6 BDBM50193145 Purchase	Wt: 158.1 BDBM50197063 Purchase
Wt: 160.1 BDBM50395076 Purchase	Wt: 202.2 BDBM50395077 Purchase	Wt: 159.1 BDBM50395081 Purchase	Wt: 132.1 BDBM50395083 Purchase	Wt: 189.1 BDBM50396018 Purchase
Wt: 226.2 BDBM50418773 Purchase	Wt: 116.0 BDBM26122 Purchase	Wt: 118.0 BDBM26121 Purchase

<< First | Previous | Displayed 16 to 28 (of 28 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 310 hits for monomerid = 60917,81348,50009001,50193145,50197063,50395076,50395077,50395081,50395083,50396018,50418773,26122,26121
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(1A) dopamine receptor (RAT)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against Dopamine receptor D1 in rat striatal membranes using [3H]SCH-23390				Citation and Details BindingDB Entry DOI: 10.7270/Q2930WC4
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dopamine receptor D4 (CANINE)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Nature 350: 610-4 (1991) Article DOI: 10.1038/350610a0 BindingDB Entry DOI: 10.7270/Q24T6GVD
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1B) dopamine receptor (RAT)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
Duke University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity against Dopamine receptor D2 in rat striatal membranes using [3H]spiperone				Citation and Details BindingDB Entry DOI: 10.7270/Q2930WC4
TBA					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Nature 350: 614-9 (1991) Article DOI: 10.1038/350614a0 BindingDB Entry DOI: 10.7270/Q2NV9GQR
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP K_i Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
University of Nebraska Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
Duke University Curated by PDSP K_i Database					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2C adrenergic receptor (OK)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP K_i Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
University of Nebraska Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Nature 350: 614-9 (1991) Article DOI: 10.1038/350614a0 BindingDB Entry DOI: 10.7270/Q2NV9GQR
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2b (Rattus norvegicus)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its binding affinity against Alpha-2 adrenergic receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q2930WC4
TBA					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D1				J Med Chem 41: 4385-99 (1998) Article DOI: 10.1021/jm9800292 BindingDB Entry DOI: 10.7270/Q2R21227
University of Texas at Austin Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-2B adrenergic receptor (NEONATAL RAT)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP K_i Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
University of Nebraska Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM81348 (β-Lapachone (A3) \| Beta lapachone \| R115 (Rea...) Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O \|c:5\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SIB Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant IDO1 expressed in Escherichia coli by Michaelis-Menton nonlinear regression plot analysis in presence ...				J Med Chem 58: 9421-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b00326 BindingDB Entry DOI: 10.7270/Q28K7D3X
SIB Swiss Institute of Bioinformatics Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM81348 (β-Lapachone (A3) \| Beta lapachone \| R115 (Rea...) Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O \|c:5\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00925 BindingDB Entry DOI: 10.7270/Q28D010N
TBA					More data for this Ligand-Target Pair
Cocaine esterase (Homo sapiens (Human))	BDBM81348 (β-Lapachone (A3) \| Beta lapachone \| R115 (Rea...) Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O \|c:5\| Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...				J Med Chem 60: 1568-1579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested for its binding affinity against Alpha-1 adrenergic receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q2930WC4
TBA					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50009001 (5,6,7-Trihydroxyflavone \| 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Crete Curated by ChEMBL					Assay Description Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin				Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK
University of Crete Curated by ChEMBL					More data for this Ligand-Target Pair
Dopamine receptor D4 (CANINE)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	321	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Nature 350: 610-4 (1991) Article DOI: 10.1038/350610a0 BindingDB Entry DOI: 10.7270/Q24T6GVD
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50009001 (5,6,7-Trihydroxyflavone \| 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 15-lipoxygenase				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Prolyl 4-hydroxylase (Paramecium bursaria Chlorella virus 1)	BDBM50193145 (2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...) Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018 BindingDB Entry DOI: 10.7270/Q2KK9G4R
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2				J Med Chem 29: 1904-12 (1986) BindingDB Entry DOI: 10.7270/Q2TQ623R
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Nature 350: 614-9 (1991) Article DOI: 10.1038/350614a0 BindingDB Entry DOI: 10.7270/Q2NV9GQR
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D2				J Med Chem 41: 4385-99 (1998) Article DOI: 10.1021/jm9800292 BindingDB Entry DOI: 10.7270/Q2R21227
University of Texas at Austin Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50009001 (5,6,7-Trihydroxyflavone \| 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Crete Curated by ChEMBL					Assay Description Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin				Bioorg Med Chem 19: 2842-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.042 BindingDB Entry DOI: 10.7270/Q2V69JXK
University of Crete Curated by ChEMBL					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM81348 (β-Lapachone (A3) \| Beta lapachone \| R115 (Rea...) Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O \|c:5\| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate				J Med Chem 60: 1568-1579 (2017) Article DOI: 10.1021/acs.jmedchem.6b01849 BindingDB Entry DOI: 10.7270/Q2FF3VMP
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM50009001 (5,6,7-Trihydroxyflavone \| 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human platelet-type 12-lipoxygenase				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Nature 350: 614-9 (1991) Article DOI: 10.1038/350614a0 BindingDB Entry DOI: 10.7270/Q2NV9GQR
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate				Bioorg Med Chem 19: 3625-36 (2011) Article DOI: 10.1016/j.bmc.2011.01.046 BindingDB Entry DOI: 10.7270/Q23X870S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 2A (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM50418773 (CARBIDOPA) Show SMILES C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Uncompetitive inhibition of JMJD2E relative to alpha-ketoglutarate				Bioorg Med Chem 19: 3625-36 (2011) Article DOI: 10.1016/j.bmc.2011.01.046 BindingDB Entry DOI: 10.7270/Q23X870S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM81348 (β-Lapachone (A3) \| Beta lapachone \| R115 (Rea...) Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O \|c:5\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate				Bioorg Med Chem 19: 3625-36 (2011) Article DOI: 10.1016/j.bmc.2011.01.046 BindingDB Entry DOI: 10.7270/Q23X870S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM50009001 (5,6,7-Trihydroxyflavone \| 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate				Bioorg Med Chem 19: 3625-36 (2011) Article DOI: 10.1016/j.bmc.2011.01.046 BindingDB Entry DOI: 10.7270/Q23X870S
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 2A (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly...				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM26122 ((2E)-but-2-enedioic acid \| FUMARIC ACID \| Fumarate...) Show SMILES OC(=O)\C=C\C(O)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.17E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase (Homo sapiens (Human))	BDBM26121 (SUCCINIC ACID \| Substrate analogue, 11 \| Succinate...) Show SMILES OC(=O)CCC(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.00E+6	-3.26	n/a	n/a	n/a	n/a	n/a	5.8	37
University of North Carolina					Assay Description Glycosylasparaginase activity was measured in citrate-phosphate buffer at pH 5.8 at 37 C. N-Acetyl-D-glucosamine released during the reaction was me...				J Enzym Inhib 16: 269-74 (2001) Article DOI: 10.1080/14756360109162375 BindingDB Entry DOI: 10.7270/Q2P55M2S
University of North Carolina					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Escherichia coli)	BDBM26121 (SUCCINIC ACID \| Substrate analogue, 11 \| Succinate...) Show SMILES OC(=O)CCC(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.25E+7	-2.70	n/a	n/a	n/a	n/a	n/a	8.1	37
University of Neuchâtel					Assay Description The PBGS assay is a colorimetric assay based on the reaction between PBG and 4-dimethylaminobenzaldehyde (Ehrlich's reagent).				Chembiochem 2: 343-54 (2001) Article DOI: 10.1002/1439-7633(20010504)2 BindingDB Entry DOI: 10.7270/Q29Z93CN
University of Neuchâtel					More data for this Ligand-Target Pair
Solute carrier family 22 member 20 (Mus musculus)	BDBM26122 ((2E)-but-2-enedioic acid \| FUMARIC ACID \| Fumarate...) Show SMILES OC(=O)\C=C\C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.16E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM81348 (β-Lapachone (A3) \| Beta lapachone \| R115 (Rea...) Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O \|c:5\| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins				J Med Chem 56: 6352-70 (2013) Article DOI: 10.1021/jm400568p BindingDB Entry DOI: 10.7270/Q2N017ZB
University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26121 (SUCCINIC ACID \| Substrate analogue, 11 \| Succinate...) Show SMILES OC(=O)CCC(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
University of Oxford					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM26122 ((2E)-but-2-enedioic acid \| FUMARIC ACID \| Fumarate...) Show SMILES OC(=O)\C=C\C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
University of Oxford					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (Homo sapiens (Human))	BDBM81348 (β-Lapachone (A3) \| Beta lapachone \| R115 (Rea...) Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O \|c:5\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	37
Duke University Medical Center					Assay Description In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase...				Chem Biol 15: 969-78 (2008) Article DOI: 10.1016/j.chembiol.2008.07.015 BindingDB Entry DOI: 10.7270/Q2DR2SZR
Duke University Medical Center					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50009001 (5,6,7-Trihydroxyflavone \| 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	7.45	37
Cardiff University					Assay Description Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.				J Enzym Inhib 16: 35-45 (2001) Article DOI: 10.1080/14756360109162353 BindingDB Entry DOI: 10.7270/Q2SX6BRB
Cardiff University					More data for this Ligand-Target Pair
Linoleate 9S-lipoxygenase-4 (Glycine max (Soybean) (Glycine hispida))	BDBM50009001 (5,6,7-Trihydroxyflavone \| 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	8.0	25
PCSIR Laboratories Complex					Assay Description LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.				J Enzyme Inhib Med Chem 23: 313-6 (2008) Article DOI: 10.1080/14756360701536455 BindingDB Entry DOI: 10.7270/Q2930RRD
PCSIR Laboratories Complex					More data for this Ligand-Target Pair
Methyl-accepting chemotaxis protein NahY (Pseudomonas putida (Arthrobacter siderocapsulatus))	BDBM26122 ((2E)-but-2-enedioic acid \| FUMARIC ACID \| Fumarate...) Show SMILES OC(=O)\C=C\C(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	20
CSIC					Assay Description Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).				J Biol Chem 285: 23126-36 (2010) Article DOI: 10.1074/jbc.M110.110403 BindingDB Entry DOI: 10.7270/Q2K64GNS
CSIC					More data for this Ligand-Target Pair
Methyl-accepting chemotaxis protein NahY (Pseudomonas putida (Arthrobacter siderocapsulatus))	BDBM26121 (SUCCINIC ACID \| Substrate analogue, 11 \| Succinate...) Show SMILES OC(=O)CCC(O)=O Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	20
CSIC					Assay Description Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).				J Biol Chem 285: 23126-36 (2010) Article DOI: 10.1074/jbc.M110.110403 BindingDB Entry DOI: 10.7270/Q2K64GNS
CSIC					More data for this Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15 (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2CN72J7
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PCBioAssay	n/a	n/a	8.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q280517J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PCBioAssay	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q24748HT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Guanine nucleotide-binding protein subunit alpha-15 (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	>2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2QZ28KG
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 310 total ) | Next | Last >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 60917,81348,50009001,50193145,50197063,50395076,50395077,50395081,50395083,50396018,50418773,26122,26121
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Methyl-accepting chemotaxis protein (McpS) (Pseudomonas putida (Arthrobacter siderocapsulatus))	BDBM26122 ((2E)-but-2-enedioic acid \| FUMARIC ACID \| Fumarate...)	GoogleScholar	CHEBI MMDB PC cid PC sid PDB	-6.39	7.00	-13.3	4.77	n/a	20
CSIC		GoogleScholar	CHEBI MMDB PC cid PC sid PDB	J Biol Chem 285: 23126-36 (2010)
Methyl-accepting chemotaxis protein (McpS) (Pseudomonas putida (Arthrobacter siderocapsulatus))	BDBM26121 (SUCCINIC ACID \| Substrate analogue, 11 \| Succinate...)	GoogleScholar	CHEBI MMDB PC cid PC sid PDB	-5.48	4.90	-10.2	4.09	n/a	20
CSIC		GoogleScholar	CHEBI MMDB PC cid PC sid PDB	J Biol Chem 285: 23126-36 (2010)