Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'fadeyi' and Initial = 'o'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565931 (CHEMBL4787096) Show SMILES C[C@H](Oc1cc(cnc1N)-c1c[nH]nc1C)c1cc(F)ccc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565919 (CHEMBL4794362) Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc(F)c(F)cc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565920 (CHEMBL4784517) Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(F)c(F)cc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565925 (CHEMBL4778780) Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2n(CCO)ncc2cc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565921 (CHEMBL4781765) Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc2[nH]ncc2cc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565918 (CHEMBL4778108) Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C#N)c1cc(F)c(F)cc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565917 (CHEMBL4783261) Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc(F)ccc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565922 (CHEMBL4797664) Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1ncc(F)cc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565929 (Pf-07059013) Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	>3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565928 (CHEMBL4785484) Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565927 (CHEMBL4779453) Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565926 (CHEMBL4778770) Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2n(CC(O)=O)ncc2cc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565924 (CHEMBL4795396) Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc2n(CCO)ncc2cc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565916 (CHEMBL4777878) Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C#N)c1cc(F)ccc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565923 (CHEMBL4762748) Show SMILES C[C@H](Oc1cc2cc(cc(F)c2nc1N)C(N)=O)c1ncc(F)cc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50565930 (CHEMBL4796436) Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1[nH]c(=O)ccc1-n1cccn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human ERG by dofetilide fluorescence polarization binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01518 BindingDB Entry DOI: 10.7270/Q2QC079V
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50232526 (5-((2,4-difluorophenoxy)methyl)quinazoline-2,4-dia...) Show SMILES Nc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1 Show InChI InChI=1S/C15H12F2N4O/c16-9-4-5-12(10(17)6-9)22-7-8-2-1-3-11-13(8)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50232534 (5-((2-fluorophenoxy)methyl)quinazoline-2,4-diamine...) Show SMILES Nc1nc(N)c2c(COc3ccccc3F)cccc2n1 Show InChI InChI=1S/C15H13FN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50232538 (5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1 Show InChI InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair				3D Structure (crystal)
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237216 (CHEMBL4080254) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4)CC3)cccc2n1 Show InChI InChI=1S/C21H25N5O/c22-20-19-17(24-21(23)25-20)7-4-8-18(19)27-14-16-9-11-26(12-10-16)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H4,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237201 (CHEMBL4082618) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(F)cccc4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H23ClFN5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50232589 (5-((3-chlorophenoxy)methyl)quinazoline-2,4-diamine...) Show SMILES Nc1nc(N)c2c(COc3cccc(Cl)c3)cccc2n1 Show InChI InChI=1S/C15H13ClN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237200 (CHEMBL4072132) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0690	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM36530 (D157493) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards 5-HT3 receptor in rat was evaluated				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair				3D Structure (crystal)
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237199 (CHEMBL4077061) Show SMILES Nc1nc(N)c2c(COc3cc(F)cc(c3)C#N)cccc2n1 Show InChI InChI=1S/C16H12FN5O/c17-11-4-9(7-18)5-12(6-11)23-8-10-2-1-3-13-14(10)15(19)22-16(20)21-13/h1-6H,8H2,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237203 (CHEMBL250072) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1 Show InChI InChI=1S/C21H24ClN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237205 (CHEMBL398675) Show SMILES Nc1nc(N)c2c(OCc3cc(F)cc(F)c3)cccc2n1 Show InChI InChI=1S/C15H12F2N4O/c16-9-4-8(5-10(17)6-9)7-22-12-3-1-2-11-13(12)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237209 (CHEMBL4062544) Show SMILES Nc1nc(N)c2c(COc3cccc(F)c3)cccc2n1 Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237211 (CHEMBL4061457) Show SMILES Cc1ncccc1OCc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C15H15N5O/c1-9-12(6-3-7-18-9)21-8-10-4-2-5-11-13(10)14(16)20-15(17)19-11/h2-7H,8H2,1H3,(H4,16,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237210 (CHEMBL399673) Show SMILES Nc1nc(N)c2c(COc3ccccc3Cl)cccc2n1 Show InChI InChI=1S/C15H13ClN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM36534 (D156095) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1 Show InChI InChI=1S/C21H23Cl2N5O/c22-15-5-4-14(10-16(15)23)11-28-8-6-13(7-9-28)12-29-18-3-1-2-17-19(18)20(24)27-21(25)26-17/h1-5,10,13H,6-9,11-12H2,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237217 (CHEMBL342595) Show SMILES Nc1nc(N)c2c(OCc3ccccc3)cccc2n1 Show InChI InChI=1S/C15H14N4O/c16-14-13-11(18-15(17)19-14)7-4-8-12(13)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H4,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity towards rat 5-hydroxytryptamine 3 receptor was evaluated				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237202 (CHEMBL4103454) Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4OC(F)(F)F)CC3)cccc2n1 Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)32-17-6-2-1-4-15(17)12-30-10-8-14(9-11-30)13-31-18-7-3-5-16-19(18)20(26)29-21(27)28-16/h1-7,14H,8-13H2,(H4,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257270 (CHEMBL4088158) Show SMILES Cn1c(ccc1-c1ccc(O)cc1Cl)C#N Show InChI InChI=1S/C12H9ClN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257265 (CHEMBL4095364) Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1F)C#N |(9.8,-30.9,;9.75,-29.36,;8.48,-28.5,;8.91,-27.02,;10.45,-26.97,;10.97,-28.42,;12.44,-28.84,;13.55,-27.78,;13.18,-26.29,;15.03,-28.2,;15.4,-29.71,;16.88,-30.13,;14.29,-30.77,;12.81,-30.34,;11.7,-31.41,;7.02,-29.02,;5.57,-29.54,)| Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237198 (CHEMBL4068466) Show SMILES Nc1nc(N)c2c(OCC3CCOCC3)cccc2n1 Show InChI InChI=1S/C14H18N4O2/c15-13-12-10(17-14(16)18-13)2-1-3-11(12)20-8-9-4-6-19-7-5-9/h1-3,9H,4-8H2,(H4,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237218 (CHEMBL4072481) Show SMILES Nc1nc(N)c2c(COC3CCOCC3)cccc2n1 Show InChI InChI=1S/C14H18N4O2/c15-13-12-9(8-20-10-4-6-19-7-5-10)2-1-3-11(12)17-14(16)18-13/h1-3,10H,4-8H2,(H4,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50232566 (5-(3-chlorobenzyloxy)quinazoline-2,4-diamine | CHE...) Show SMILES Nc1nc(N)c2c(OCc3cccc(Cl)c3)cccc2n1 Show InChI InChI=1S/C15H13ClN4O/c16-10-4-1-3-9(7-10)8-21-12-6-2-5-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257275 (CHEMBL4065842) Show SMILES Cc1cc(ccc1O)-c1ccc(C#N)n1C Show InChI InChI=1S/C13H12N2O/c1-9-7-10(3-6-13(9)16)12-5-4-11(8-14)15(12)2/h3-7,16H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257272 (CHEMBL4095883) Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50257274 (CHEMBL4079377) Show SMILES Cc1cc(O)ccc1-c1ccc(C#N)n1C Show InChI InChI=1S/C13H12N2O/c1-9-7-11(16)4-5-12(9)13-6-3-10(8-14)15(13)2/h3-7,16H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257284 (CHEMBL4072730) Show SMILES Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C Show InChI InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257276 (CHEMBL4087256) Show SMILES Cn1c(ccc1-c1ccc(O)cc1)C#N Show InChI InChI=1S/C12H10N2O/c1-14-10(8-13)4-7-12(14)9-2-5-11(15)6-3-9/h2-7,15H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257315 (CHEMBL4066319) Show SMILES Cn1c(ccc1-c1ccc(O)cc1C#N)C#N Show InChI InChI=1S/C13H9N3O/c1-16-10(8-15)2-5-13(16)12-4-3-11(17)6-9(12)7-14/h2-6,17H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257314 (CHEMBL4103641) Show SMILES CCc1cc(ccc1O)-c1ccc(C#N)n1C Show InChI InChI=1S/C14H14N2O/c1-3-10-8-11(4-7-14(10)17)13-6-5-12(9-15)16(13)2/h4-8,17H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237204 (CHEMBL343543) Show SMILES COc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C9H10N4O/c1-14-6-4-2-3-5-7(6)8(10)13-9(11)12-5/h2-4H,1H3,(H4,10,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257313 (CHEMBL4061510) Show SMILES Cn1c(ccc1-c1ccc(O)c2CCCc12)C#N Show InChI InChI=1S/C15H14N2O/c1-17-10(9-16)5-7-14(17)12-6-8-15(18)13-4-2-3-11(12)13/h5-8,18H,2-4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237206 (CHEMBL4075292) Show SMILES CC1(COc2cccc3nc(N)nc(N)c23)COC1 Show InChI InChI=1S/C13H16N4O2/c1-13(5-18-6-13)7-19-9-4-2-3-8-10(9)11(14)17-12(15)16-8/h2-4H,5-7H2,1H3,(H4,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50257319 (CHEMBL4088572) Show SMILES Cn1c(cc(c1C#N)C(F)(F)F)-c1ccc(O)cc1 Show InChI InChI=1S/C13H9F3N2O/c1-18-11(8-2-4-9(19)5-3-8)6-10(12(18)7-17)13(14,15)16/h2-6,19H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237212 (CHEMBL4100442) Show SMILES Cc1cc(OCC2CCN(Cc3ccccc3F)CC2)c2c(N)nc(N)nc2c1 Show InChI InChI=1S/C22H26FN5O/c1-14-10-18-20(21(24)27-22(25)26-18)19(11-14)29-13-15-6-8-28(9-7-15)12-16-4-2-3-5-17(16)23/h2-5,10-11,15H,6-9,12-13H2,1H3,(H4,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair

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