Compile Data Set for Download or QSAR

Found 433 hits with Last Name = 'henderson' and Initial = 'ja'   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50044287 (CHEMBL3356900) Show SMILES CCCn1cnc(CCNC(=O)Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)c1 Show InChI InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274571 (CHEMBL4127784) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2n1)c1cnn(CC#N)c1 Show InChI InChI=1S/C19H16N6O3/c1-27-17-7-12(8-21-18(17)28-2)15-4-3-14-16(23-15)11-25(19(14)26)13-9-22-24(10-13)6-5-20/h3-4,7-10H,6,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274538 (CHEMBL4126773) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N([C@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3N5O3/c1-11-17-14(19(29)28(11)13-8-25-27(9-13)10-20(21,22)23)4-5-15(26-17)12-6-16(30-2)18(31-3)24-7-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274537 (CHEMBL4129974) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2n1)c1cnn(CC(F)(F)F)c1 Show InChI InChI=1S/C19H16F3N5O3/c1-29-16-5-11(6-23-17(16)30-2)14-4-3-13-15(25-14)9-27(18(13)28)12-7-24-26(8-12)10-19(20,21)22/h3-8H,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274572 (CHEMBL4129180) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2c1)c1cnn(CC#N)c1 Show InChI InChI=1S/C20H17N5O3/c1-27-18-8-14(9-22-19(18)28-2)13-3-4-17-15(7-13)11-25(20(17)26)16-10-23-24(12-16)6-5-21/h3-4,7-10,12H,6,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274541 (CHEMBL4130036) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N([C@@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3N5O3/c1-11-17-14(19(29)28(11)13-8-25-27(9-13)10-20(21,22)23)4-5-15(26-17)12-6-16(30-2)18(31-3)24-7-12/h4-9,11H,10H2,1-3H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274559 (CHEMBL4126707) Show SMILES CCn1cc(cn1)N1Cc2nc(ccc2C1=O)-c1cnc(OC)c(OC)c1 Show InChI InChI=1S/C19H19N5O3/c1-4-23-10-13(9-21-23)24-11-16-14(19(24)25)5-6-15(22-16)12-7-17(26-2)18(27-3)20-8-12/h5-10H,4,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274543 (CHEMBL4129251) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2n1)c1cnn(CC(F)F)c1 Show InChI InChI=1S/C19H17F2N5O3/c1-28-16-5-11(6-22-18(16)29-2)14-4-3-13-15(24-14)9-26(19(13)27)12-7-23-25(8-12)10-17(20)21/h3-8,17H,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274542 (CHEMBL4127853) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2n1)c1cnn(CC#C)c1 Show InChI InChI=1S/C20H17N5O3/c1-4-7-24-11-14(10-22-24)25-12-17-15(20(25)26)5-6-16(23-17)13-8-18(27-2)19(28-3)21-9-13/h1,5-6,8-11H,7,12H2,2-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274540 (CHEMBL4128822) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(c3cnn(CC(F)(F)F)c3)C(C)(C)c2n1 Show InChI InChI=1S/C21H20F3N5O3/c1-20(2)17-14(19(30)29(20)13-9-26-28(10-13)11-21(22,23)24)5-6-15(27-17)12-7-16(31-3)18(32-4)25-8-12/h5-10H,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274560 (CHEMBL4125738) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2n1)c1cn[nH]c1 Show InChI InChI=1S/C17H15N5O3/c1-24-15-5-10(6-18-16(15)25-2)13-4-3-12-14(21-13)9-22(17(12)23)11-7-19-20-8-11/h3-8H,9H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274580 (CHEMBL4128006) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2n1)c1cnn(CCC#N)c1 Show InChI InChI=1S/C20H18N6O3/c1-28-18-8-13(9-22-19(18)29-2)16-5-4-15-17(24-16)12-26(20(15)27)14-10-23-25(11-14)7-3-6-21/h4-5,8-11H,3,7,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274544 (CHEMBL4126620) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2n1)c1cnn(c1)C(C)(C)C#N Show InChI InChI=1S/C21H20N6O3/c1-21(2,12-22)27-10-14(9-24-27)26-11-17-15(20(26)28)5-6-16(25-17)13-7-18(29-3)19(30-4)23-8-13/h5-10H,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274573 (CHEMBL4126829) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2c1)c1cccc(CC#N)c1 Show InChI InChI=1S/C23H19N3O3/c1-28-21-12-17(13-25-22(21)29-2)16-6-7-20-18(11-16)14-26(23(20)27)19-5-3-4-15(10-19)8-9-24/h3-7,10-13H,8,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274581 (CHEMBL4129025) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2n1)c1cnn(C)c1 Show InChI InChI=1S/C18H17N5O3/c1-22-9-12(8-20-22)23-10-15-13(18(23)24)4-5-14(21-15)11-6-16(25-2)17(26-3)19-7-11/h4-9H,10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274574 (CHEMBL4128211) Show SMILES COc1ccc(cc1OC)-c1ccc2C(=O)N(Cc2c1)c1cccc(CC#N)c1 Show InChI InChI=1S/C24H20N2O3/c1-28-22-9-7-18(14-23(22)29-2)17-6-8-21-19(13-17)15-26(24(21)27)20-5-3-4-16(12-20)10-11-25/h3-9,12-14H,10,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50274538 (CHEMBL4126773) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N([C@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3N5O3/c1-11-17-14(19(29)28(11)13-8-25-27(9-13)10-20(21,22)23)4-5-15(26-17)12-6-16(30-2)18(31-3)24-7-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of DNA-PK (unknown origin) using EPPLSQEAFADLWKKK as substrate after 15 mins in presence of [33P-ATP] by radiometric method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274538 (CHEMBL4126773) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N([C@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3N5O3/c1-11-17-14(19(29)28(11)13-8-25-27(9-13)10-20(21,22)23)4-5-15(26-17)12-6-16(30-2)18(31-3)24-7-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in TNFalpha primed human neutrophils assessed as inhibition of fMLP-induced ROS generation preincubated for 30 to 60 mins fol...				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274538 (CHEMBL4126773) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N([C@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3N5O3/c1-11-17-14(19(29)28(11)13-8-25-27(9-13)10-20(21,22)23)4-5-15(26-17)12-6-16(30-2)18(31-3)24-7-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in human THP1 cells assessed as inhibition of MCP1-induced Akt phosphorylation at Ser-47 residue preincubated for 1 hr follow...				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274541 (CHEMBL4130036) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N([C@@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3N5O3/c1-11-17-14(19(29)28(11)13-8-25-27(9-13)10-20(21,22)23)4-5-15(26-17)12-6-16(30-2)18(31-3)24-7-12/h4-9,11H,10H2,1-3H3/t11-/m0/s1	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	210	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in human THP1 cells assessed as inhibition of MCP1-induced Akt phosphorylation at Ser-47 residue preincubated for 1 hr follow...				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol-4,5-bisphosphate 3-kinase (Rattus norvegicus)	BDBM50274538 (CHEMBL4126773) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N([C@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3N5O3/c1-11-17-14(19(29)28(11)13-8-25-27(9-13)10-20(21,22)23)4-5-15(26-17)12-6-16(30-2)18(31-3)24-7-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in rat spleenocytes assessed as inhibition of MCP1-induced Akt phosphorylation at Ser-47 residue preincubated for 1 hr follow...				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274537 (CHEMBL4129974) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2n1)c1cnn(CC(F)(F)F)c1 Show InChI InChI=1S/C19H16F3N5O3/c1-29-16-5-11(6-23-17(16)30-2)14-4-3-13-15(25-14)9-27(18(13)28)12-7-24-26(8-12)10-19(20,21)22/h3-8H,9-10H2,1-2H3	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	280	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in human THP1 cells assessed as inhibition of MCP1-induced Akt phosphorylation at Ser-47 residue preincubated for 1 hr follow...				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274540 (CHEMBL4128822) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(c3cnn(CC(F)(F)F)c3)C(C)(C)c2n1 Show InChI InChI=1S/C21H20F3N5O3/c1-20(2)17-14(19(30)29(20)13-9-26-28(10-13)11-21(22,23)24)5-6-15(27-17)12-7-16(31-3)18(32-4)25-8-12/h5-10H,11H2,1-4H3	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	340	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in human THP1 cells assessed as inhibition of MCP1-induced Akt phosphorylation at Ser-47 residue preincubated for 1 hr follow...				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50274538 (CHEMBL4126773) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N([C@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3N5O3/c1-11-17-14(19(29)28(11)13-8-25-27(9-13)10-20(21,22)23)4-5-15(26-17)12-6-16(30-2)18(31-3)24-7-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in TNFalpha primed human whole blood assessed as inhibition of fMLP-induced ROS generation preincubated for 30 to 60 mins fol...				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50061235 (CHEMBL3393730) Show SMILES [H][C@]1(C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C)c1ncc([nH]1)-c1ccc(cc1)-c1ccc(s1)-c1cc2[nH]c(nc2s1)[C@]1([H])C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C42H50N8O6S2/c1-21(2)34(46-41(53)55-7)39(51)49-19-23(5)15-29(49)36-43-18-28(45-36)25-9-11-26(12-10-25)31-13-14-32(57-31)33-17-27-38(58-33)48-37(44-27)30-16-24(6)20-50(30)40(52)35(22(3)4)47-42(54)56-8/h9-14,17-18,21-24,29-30,34-35H,15-16,19-20H2,1-8H3,(H,46,53)(H,47,54)/b28-25-,31-26-,33-32+/t23-,24-,29-,30-,34-,35-/m0/s1	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	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 25: 940-3 (2015) Article DOI: 10.1016/j.bmcl.2014.12.044 BindingDB Entry DOI: 10.7270/Q2SX6FWC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50061235 (CHEMBL3393730) Show SMILES [H][C@]1(C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C)c1ncc([nH]1)-c1ccc(cc1)-c1ccc(s1)-c1cc2[nH]c(nc2s1)[C@]1([H])C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C42H50N8O6S2/c1-21(2)34(46-41(53)55-7)39(51)49-19-23(5)15-29(49)36-43-18-28(45-36)25-9-11-26(12-10-25)31-13-14-32(57-31)33-17-27-38(58-33)48-37(44-27)30-16-24(6)20-50(30)40(52)35(22(3)4)47-42(54)56-8/h9-14,17-18,21-24,29-30,34-35H,15-16,19-20H2,1-8H3,(H,46,53)(H,47,54)/b28-25-,31-26-,33-32+/t23-,24-,29-,30-,34-,35-/m0/s1	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	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG by Q-patch assay				Bioorg Med Chem Lett 25: 940-3 (2015) Article DOI: 10.1016/j.bmcl.2014.12.044 BindingDB Entry DOI: 10.7270/Q2SX6FWC
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50101586 (CHEMBL3394868) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 25: 944-7 (2015) Article DOI: 10.1016/j.bmcl.2014.12.045 BindingDB Entry DOI: 10.7270/Q208673W
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50101586 (CHEMBL3394868) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 25: 944-7 (2015) Article DOI: 10.1016/j.bmcl.2014.12.045 BindingDB Entry DOI: 10.7270/Q208673W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50101586 (CHEMBL3394868) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 25: 944-7 (2015) Article DOI: 10.1016/j.bmcl.2014.12.045 BindingDB Entry DOI: 10.7270/Q208673W
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50061236 (CHEMBL3120454) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2[nH]c(nc2s1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H52N8O6S/c1-23(2)36(48-43(55)57-7)41(53)51-21-25(5)17-33(51)38-45-20-32(47-38)29-13-9-27(10-14-29)28-11-15-30(16-12-28)35-19-31-40(59-35)50-39(46-31)34-18-26(6)22-52(34)42(54)37(24(3)4)49-44(56)58-8/h9-16,19-20,23-26,33-34,36-37H,17-18,21-22H2,1-8H3,(H,48,55)(H,49,56)/b28-27-,32-29-,35-30+/t25-,26-,33-,34-,36-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 25: 940-3 (2015) Article DOI: 10.1016/j.bmcl.2014.12.044 BindingDB Entry DOI: 10.7270/Q2SX6FWC
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50061235 (CHEMBL3393730) Show SMILES [H][C@]1(C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C)c1ncc([nH]1)-c1ccc(cc1)-c1ccc(s1)-c1cc2[nH]c(nc2s1)[C@]1([H])C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C42H50N8O6S2/c1-21(2)34(46-41(53)55-7)39(51)49-19-23(5)15-29(49)36-43-18-28(45-36)25-9-11-26(12-10-25)31-13-14-32(57-31)33-17-27-38(58-33)48-37(44-27)30-16-24(6)20-50(30)40(52)35(22(3)4)47-42(54)56-8/h9-14,17-18,21-24,29-30,34-35H,15-16,19-20H2,1-8H3,(H,46,53)(H,47,54)/b28-25-,31-26-,33-32+/t23-,24-,29-,30-,34-,35-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 25: 940-3 (2015) Article DOI: 10.1016/j.bmcl.2014.12.044 BindingDB Entry DOI: 10.7270/Q2SX6FWC
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50061236 (CHEMBL3120454) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2[nH]c(nc2s1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H52N8O6S/c1-23(2)36(48-43(55)57-7)41(53)51-21-25(5)17-33(51)38-45-20-32(47-38)29-13-9-27(10-14-29)28-11-15-30(16-12-28)35-19-31-40(59-35)50-39(46-31)34-18-26(6)22-52(34)42(54)37(24(3)4)49-44(56)58-8/h9-16,19-20,23-26,33-34,36-37H,17-18,21-22H2,1-8H3,(H,48,55)(H,49,56)/b28-27-,32-29-,35-30+/t25-,26-,33-,34-,36-,37-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 25: 940-3 (2015) Article DOI: 10.1016/j.bmcl.2014.12.044 BindingDB Entry DOI: 10.7270/Q2SX6FWC
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50061236 (CHEMBL3120454) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2[nH]c(nc2s1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H52N8O6S/c1-23(2)36(48-43(55)57-7)41(53)51-21-25(5)17-33(51)38-45-20-32(47-38)29-13-9-27(10-14-29)28-11-15-30(16-12-28)35-19-31-40(59-35)50-39(46-31)34-18-26(6)22-52(34)42(54)37(24(3)4)49-44(56)58-8/h9-16,19-20,23-26,33-34,36-37H,17-18,21-22H2,1-8H3,(H,48,55)(H,49,56)/b28-27-,32-29-,35-30+/t25-,26-,33-,34-,36-,37-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 25: 940-3 (2015) Article DOI: 10.1016/j.bmcl.2014.12.044 BindingDB Entry DOI: 10.7270/Q2SX6FWC
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50101586 (CHEMBL3394868) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 25: 944-7 (2015) Article DOI: 10.1016/j.bmcl.2014.12.045 BindingDB Entry DOI: 10.7270/Q208673W
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50101586 (CHEMBL3394868) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 25: 944-7 (2015) Article DOI: 10.1016/j.bmcl.2014.12.045 BindingDB Entry DOI: 10.7270/Q208673W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50101586 (CHEMBL3394868) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human ERG channel by planar technique				Bioorg Med Chem Lett 25: 944-7 (2015) Article DOI: 10.1016/j.bmcl.2014.12.045 BindingDB Entry DOI: 10.7270/Q208673W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50101586 (CHEMBL3394868) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human ERG channel by QPatch technique				Bioorg Med Chem Lett 25: 944-7 (2015) Article DOI: 10.1016/j.bmcl.2014.12.045 BindingDB Entry DOI: 10.7270/Q208673W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50061235 (CHEMBL3393730) Show SMILES [H][C@]1(C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C)c1ncc([nH]1)-c1ccc(cc1)-c1ccc(s1)-c1cc2[nH]c(nc2s1)[C@]1([H])C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C42H50N8O6S2/c1-21(2)34(46-41(53)55-7)39(51)49-19-23(5)15-29(49)36-43-18-28(45-36)25-9-11-26(12-10-25)31-13-14-32(57-31)33-17-27-38(58-33)48-37(44-27)30-16-24(6)20-50(30)40(52)35(22(3)4)47-42(54)56-8/h9-14,17-18,21-24,29-30,34-35H,15-16,19-20H2,1-8H3,(H,46,53)(H,47,54)/b28-25-,31-26-,33-32+/t23-,24-,29-,30-,34-,35-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 25: 940-3 (2015) Article DOI: 10.1016/j.bmcl.2014.12.044 BindingDB Entry DOI: 10.7270/Q2SX6FWC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50274538 (CHEMBL4126773) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N([C@H](C)c2n1)c1cnn(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C20H18F3N5O3/c1-11-17-14(19(29)28(11)13-8-25-27(9-13)10-20(21,22)23)4-5-15(26-17)12-6-16(30-2)18(31-3)24-7-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50061236 (CHEMBL3120454) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2[nH]c(nc2s1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H52N8O6S/c1-23(2)36(48-43(55)57-7)41(53)51-21-25(5)17-33(51)38-45-20-32(47-38)29-13-9-27(10-14-29)28-11-15-30(16-12-28)35-19-31-40(59-35)50-39(46-31)34-18-26(6)22-52(34)42(54)37(24(3)4)49-44(56)58-8/h9-16,19-20,23-26,33-34,36-37H,17-18,21-22H2,1-8H3,(H,48,55)(H,49,56)/b28-27-,32-29-,35-30+/t25-,26-,33-,34-,36-,37-/m0/s1	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG by Q-patch assay				Bioorg Med Chem Lett 25: 940-3 (2015) Article DOI: 10.1016/j.bmcl.2014.12.044 BindingDB Entry DOI: 10.7270/Q2SX6FWC
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575232 (US11459335, Compound 29 | US20230279023, Compound ...) Show SMILES COc1cc(NC2CCC(=O)NC2=O)cc(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575233 (US11459335, Compound 30 | US20230279023, Compound ...) Show SMILES O=C1CCC(Nc2cccc(Oc3ccccc3)c2)C(=O)N1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575234 (US11459335, Compound 31 | US20230279023, Compound ...) Show SMILES CCCOc1ccc(NC2CCC(=O)NC2=O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575235 (US11459335, Compound 32 | US20230279023, Compound ...) Show SMILES CN(C1CCC(=O)NC1=O)c1ccc(Br)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575236 (US11459335, Compound 33 | US20230279023, Compound ...) Show SMILES CN(C1CCC(=O)NC1=O)c1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575237 (US11459335, Compound 34 | US20230279023, Compound ...) Show SMILES CN(C1CCC(=O)NC1=O)c1cccc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575238 (US11459335, Compound 35 | US20230279023, Compound ...) Show SMILES FC(F)(F)c1cccc(NC2CCC(=O)NC2=O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575239 (US11459335, Compound 36 | US20230279023, Compound ...) Show SMILES COc1ccc(NC2CCC(=O)NC2=O)c(C)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575240 (US11459335, Compound 37 | US20230279023, Compound ...) Show SMILES Clc1ccc(NC2CCC(=O)NC2=O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM575241 (US11459335, Compound 38 | US20230279023, Compound ...) Show SMILES Cc1ccc(NC2CCC(=O)NC2=O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20869F6
					More data for this Ligand-Target Pair

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