Compounds in cluster

11 similar compounds to monomer 50241604

Wt: 396.2 BDBM50054786	Wt: 543.5 BDBM50089322	Wt: 469.5 BDBM50089334	Wt: 1631.9 BDBM50187705	Wt: 263.2 BDBM50241586
Wt: 288.3 BDBM50241587	Wt: 270.2 BDBM50241596	Wt: 306.3 BDBM50241597	Wt: 256.0 BDBM50241598	Wt: 290.5 BDBM50241603
Wt: 268.0 BDBM50241605

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50054786,50089322,50089334,50187705,50241586,50241587,50241596,50241597,50241598,50241603,50241605
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Pregnane X receptor (Homo sapiens (Human))	BDBM50054786 (CHEMBL3318964) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Activation of PXR (unknown origin)				ACS Med Chem Lett 5: 803-8 (2014) Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W
Bristol-Myers Squibb Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50241605 (CHEMBL4082603) Show SMILES OB(O)c1ccc(\C=C\c2cccc(c2)C(O)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
University of Wisconsin-Madison Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50089322 (CHEMBL3577920) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
PKUCare Pharmaceutical R & D Center Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate after 1 hr by luciferase-based luminescence assay				ACS Med Chem Lett 6: 434-8 (2015) Article DOI: 10.1021/ml5005014 BindingDB Entry DOI: 10.7270/Q29Z96M1
PKUCare Pharmaceutical R & D Center Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50089334 (CHEMBL3577939) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by FLIPR based flux assay				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
Bristol-Myers Squibb Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50089334 (CHEMBL3577939) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
Bristol-Myers Squibb Co. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089334 (CHEMBL3577939) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
Bristol-Myers Squibb Co. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089334 (CHEMBL3577939) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
Bristol-Myers Squibb Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate carboxypeptidase II (Homo sapiens (Human))	BDBM50187705 (CHEMBL3828668) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) assessed as reduction in glutamate formation using NAAG as substrate preincubated for 30 mins followed by substra...				Eur J Med Chem 118: 208-218 (2016) Article DOI: 10.1016/j.ejmech.2016.04.033 BindingDB Entry DOI: 10.7270/Q2TX3HB6
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair
Hepsin (Homo sapiens (Human))	BDBM50187705 (CHEMBL3828668) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay				Eur J Med Chem 118: 208-218 (2016) Article DOI: 10.1016/j.ejmech.2016.04.033 BindingDB Entry DOI: 10.7270/Q2TX3HB6
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50241586 (CHEMBL4095448) Show SMILES O\N=c1/cc(\C=C\c2ccccc2)oc2ccccc12 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a
Prexton Therapeutics Curated by ChEMBL					Assay Description Positive allosteric modulation of recombinant human mGlu4 receptor expressed in HEK293 cells co-expressing Gi/Gq assessed as increase in glutamate-in...				J Med Chem 60: 8515-8537 (2017) Article DOI: 10.1021/acs.jmedchem.7b00991 BindingDB Entry DOI: 10.7270/Q2GF0WNQ
Prexton Therapeutics Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50241587 (CHEMBL4082331) Show SMILES O\N=c1/cc(oc2ccccc12)-c1ccc2ncccc2c1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.99E+3	n/a	n/a	n/a	n/a
Prexton Therapeutics Curated by ChEMBL					Assay Description Positive allosteric modulation of recombinant human mGlu4 receptor expressed in HEK293 cells co-expressing Gi/Gq assessed as increase in glutamate-in...				J Med Chem 60: 8515-8537 (2017) Article DOI: 10.1021/acs.jmedchem.7b00991 BindingDB Entry DOI: 10.7270/Q2GF0WNQ
Prexton Therapeutics Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50241596 (CHEMBL4087267) Show SMILES COc1ccc(cc1OC)-c1ccc2nnc(C)n2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged Brd4-BD1 expressed in Escherichia coli BL21(DE3) by LOGSY NMR titration method				J Med Chem 60: 8708-8715 (2017) Article DOI: 10.1021/acs.jmedchem.7b00845 BindingDB Entry DOI: 10.7270/Q2BP04ZT
University of Vienna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50241597 (CHEMBL4074924) Show SMILES Cc1nnc2ccc(nn12)-c1cnn(C)c1Oc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged Brd4-BD1 expressed in Escherichia coli BL21(DE3) by LOGSY NMR titration method				J Med Chem 60: 8708-8715 (2017) Article DOI: 10.1021/acs.jmedchem.7b00845 BindingDB Entry DOI: 10.7270/Q2BP04ZT
University of Vienna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241598 (CHEMBL4063503) Show SMILES OB(O)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
University of Wisconsin-Madison Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50241603 (CHEMBL4072121) Show SMILES OB(O)c1ccc(\C=C\c2cc(O)cc(O)c2)c(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site ...				J Med Chem 60: 7820-7834 (2017) Article DOI: 10.1021/acs.jmedchem.7b00952 BindingDB Entry DOI: 10.7270/Q26W9D7Z
University of Wisconsin-Madison Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50054786 (CHEMBL3318964) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay				ACS Med Chem Lett 5: 803-8 (2014) Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W
Bristol-Myers Squibb Co. Curated by ChEMBL					More data for this Ligand-Target Pair