Compile Data Set for Download or QSAR

Found 352 hits with Last Name = 'stams' and Initial = 'tm'   

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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38045 (US10093646, Example 13 | US10774065, Example 13 | ...) Show SMILES NC1C2CN(CC12)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C7H9N3O2S2/c1-5-8-7(10-9-5)13-6-2-3-14(11,12)4-6/h2-3,6H,4H2,1H3,(H,8,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XS5ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38042 (US10093646, Example 12 | US10774065, Example 12 | ...) Show SMILES NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1ccccc1 Show InChI InChI=1S/C24H20FN5OS2/c1-28-12-11-18-19(13-28)33-22-20(18)21(31)29(17-5-3-2-4-6-17)23-26-27-24(30(22)23)32-14-15-7-9-16(25)10-8-15/h2-10H,11-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent									US Patent US10774065 (2020) BindingDB Entry DOI: 10.7270/Q2WW7MS2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38042 (US10093646, Example 12 | US10774065, Example 12 | ...) Show SMILES NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1ccccc1 Show InChI InChI=1S/C24H20FN5OS2/c1-28-12-11-18-19(13-28)33-22-20(18)21(31)29(17-5-3-2-4-6-17)23-26-27-24(30(22)23)32-14-15-7-9-16(25)10-8-15/h2-10H,11-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	7.2	25
Novartis AG US Patent					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q25X2C0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38045 (US10093646, Example 13 | US10774065, Example 13 | ...) Show SMILES NC1C2CN(CC12)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C7H9N3O2S2/c1-5-8-7(10-9-5)13-6-2-3-14(11,12)4-6/h2-3,6H,4H2,1H3,(H,8,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	7.2	25
Novartis AG US Patent					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q25X2C0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38042 (US10093646, Example 12 | US10774065, Example 12 | ...) Show SMILES NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1ccccc1 Show InChI InChI=1S/C24H20FN5OS2/c1-28-12-11-18-19(13-28)33-22-20(18)21(31)29(17-5-3-2-4-6-17)23-26-27-24(30(22)23)32-14-15-7-9-16(25)10-8-15/h2-10H,11-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XS5ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38045 (US10093646, Example 13 | US10774065, Example 13 | ...) Show SMILES NC1C2CN(CC12)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C7H9N3O2S2/c1-5-8-7(10-9-5)13-6-2-3-14(11,12)4-6/h2-3,6H,4H2,1H3,(H,8,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent									US Patent US10774065 (2020) BindingDB Entry DOI: 10.7270/Q2WW7MS2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38048 (US10093646, Example 14 | US10774065, Example 14 | ...) Show SMILES NC[C@H]1CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C17H14BrN3O4/c1-2-24-17(23)10-9-19-11-5-3-4-6-12(11)20-15(10)21-16(22)13-7-8-14(18)25-13/h3-10H,2H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XS5ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38048 (US10093646, Example 14 | US10774065, Example 14 | ...) Show SMILES NC[C@H]1CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C17H14BrN3O4/c1-2-24-17(23)10-9-19-11-5-3-4-6-12(11)20-15(10)21-16(22)13-7-8-14(18)25-13/h3-10H,2H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent									US Patent US10774065 (2020) BindingDB Entry DOI: 10.7270/Q2WW7MS2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38048 (US10093646, Example 14 | US10774065, Example 14 | ...) Show SMILES NC[C@H]1CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C17H14BrN3O4/c1-2-24-17(23)10-9-19-11-5-3-4-6-12(11)20-15(10)21-16(22)13-7-8-14(18)25-13/h3-10H,2H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	7.2	25
Novartis AG US Patent					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q25X2C0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38019 (US10093646, Compound 1 | US10301278, Example 00003...) Show SMILES CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.2	25
Novartis AG US Patent					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q25X2C0S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38019 (US10093646, Compound 1 | US10301278, Example 00003...) Show SMILES CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10774065 (2020) BindingDB Entry DOI: 10.7270/Q2WW7MS2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38019 (US10093646, Compound 1 | US10301278, Example 00003...) Show SMILES CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XS5ZMG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38067 (US10093646, Example 15 | US10774065, Example 15 | ...) Show SMILES CCCC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C17H12N2O2/c20-14-10-19-13-9-5-4-8-12(13)17(21)18-16(19)15(14)11-6-2-1-3-7-11/h1-10,20H,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent									US Patent US10774065 (2020) BindingDB Entry DOI: 10.7270/Q2WW7MS2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38067 (US10093646, Example 15 | US10774065, Example 15 | ...) Show SMILES CCCC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C17H12N2O2/c20-14-10-19-13-9-5-4-8-12(13)17(21)18-16(19)15(14)11-6-2-1-3-7-11/h1-10,20H,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.2	25
Novartis AG US Patent					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q25X2C0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38067 (US10093646, Example 15 | US10774065, Example 15 | ...) Show SMILES CCCC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C17H12N2O2/c20-14-10-19-13-9-5-4-8-12(13)17(21)18-16(19)15(14)11-6-2-1-3-7-11/h1-10,20H,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XS5ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38027 (US10093646, Example 8 | US10774065, Example 8 | US...) Show SMILES CC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H24N4O3S/c1-29-19-12-6-4-10-17(19)26-21(16-9-3-5-11-18(16)27)23-24-22(26)30-15-20(28)25-13-7-2-8-14-25/h3-6,9-12,27H,2,7-8,13-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent									US Patent US10774065 (2020) BindingDB Entry DOI: 10.7270/Q2WW7MS2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38027 (US10093646, Example 8 | US10774065, Example 8 | US...) Show SMILES CC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H24N4O3S/c1-29-19-12-6-4-10-17(19)26-21(16-9-3-5-11-18(16)27)23-24-22(26)30-15-20(28)25-13-7-2-8-14-25/h3-6,9-12,27H,2,7-8,13-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	7.2	25
Novartis AG US Patent					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q25X2C0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38027 (US10093646, Example 8 | US10774065, Example 8 | US...) Show SMILES CC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H24N4O3S/c1-29-19-12-6-4-10-17(19)26-21(16-9-3-5-11-18(16)27)23-24-22(26)30-15-20(28)25-13-7-2-8-14-25/h3-6,9-12,27H,2,7-8,13-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XS5ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM461308 (US10774065, Example 16) Show SMILES C[C@]1(N)CCN(C[C@@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H19Cl2N5O/c1-16(20)5-6-23(8-11(16)24)12-7-21-14(15(19)22-12)9-3-2-4-10(17)13(9)18/h2-4,7,11,24H,5-6,8,20H2,1H3,(H2,19,22)/t11-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent									US Patent US10774065 (2020) BindingDB Entry DOI: 10.7270/Q2WW7MS2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38073 (US10093646, Example 18 | US10774065, Example 18 | ...) Show SMILES NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1cnccn1 Show InChI InChI=1S/C18H16N2O/c1-3-8-15(9-4-1)18(19-14-17-12-7-13-21-17)20-16-10-5-2-6-11-16/h1-13H,14H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	7.2	25
Novartis AG US Patent					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q25X2C0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38069 (US10093646, Example 16) Show SMILES C[C@@]1(N)CCN(C[C@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl.C[C@]1(N)CCN(C[C@@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C14H17NO5S/c1-15-21(18,19)11-6-4-5-10(9-11)14(17)20-13-8-3-2-7-12(13)16/h4-6,9,13,15H,2-3,7-8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	7.2	25
Novartis AG US Patent					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q25X2C0S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38073 (US10093646, Example 18 | US10774065, Example 18 | ...) Show SMILES NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1cnccn1 Show InChI InChI=1S/C18H16N2O/c1-3-8-15(9-4-1)18(19-14-17-12-7-13-21-17)20-16-10-5-2-6-11-16/h1-13H,14H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XS5ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM562187 (US11401259, Example 16) Show SMILES C[C@@]1(N)CCN(C[C@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XS5ZMG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38073 (US10093646, Example 18 | US10774065, Example 18 | ...) Show SMILES NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1cnccn1 Show InChI InChI=1S/C18H16N2O/c1-3-8-15(9-4-1)18(19-14-17-12-7-13-21-17)20-16-10-5-2-6-11-16/h1-13H,14H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent									US Patent US10774065 (2020) BindingDB Entry DOI: 10.7270/Q2WW7MS2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38150 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-(m...) Show SMILES COCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-8.74,-6.37,;-7.25,-6.77,;-6.17,-5.68,;-4.68,-6.08,;-4.2,-7.54,;-2.66,-7.54,;-1.89,-8.88,;-2.19,-6.08,;-.85,-5.31,;-3.43,-5.17,;-3.43,-3.63,;-4.77,-2.86,;-4.77,-1.32,;-3.43,-.55,;-2.1,-1.32,;-.63,-.85,;-.23,.64,;1.25,1.04,;1.65,2.53,;3.14,2.93,;3.54,4.41,;2.45,5.5,;2.85,6.99,;1.76,8.08,;4.33,7.39,;4.73,8.88,;5.42,6.3,;6.91,6.7,;5.02,4.81,;.27,-2.09,;-.63,-3.34,;-2.1,-2.86,;1.81,-2.09,;2.58,-.76,;2.58,-3.43,;4.12,-3.43,;4.12,-4.97,;4.12,-1.89,;5.66,-3.43,;6.43,-4.76,;7.97,-4.76,;8.74,-3.43,;7.97,-2.09,;6.43,-2.09,)| Show InChI InChI=1S/C21H23N5O3S/c1-14-22-21-26(23-14)20(27)19(30-21)18(17-4-3-13-29-17)25-11-9-24(10-12-25)15-5-7-16(28-2)8-6-15/h3-8,13,18,27H,9-12H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM289084 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-((...) Show SMILES CN(C)CCOCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(13.4,-2.38,;12.25,-1.35,;12.57,.15,;10.79,-1.83,;9.64,-.8,;8.18,-1.28,;7.03,-.24,;5.57,-.72,;5.09,-2.19,;3.55,-2.19,;2.65,-3.43,;3.08,-.72,;1.61,-.24,;4.32,.18,;4.32,1.72,;5.66,2.49,;5.66,4.03,;4.32,4.8,;2.99,4.03,;1.53,4.51,;1.05,5.97,;-.46,6.29,;-.93,7.76,;-2.44,8.08,;-3.47,6.94,;-2.99,5.47,;-4.02,4.33,;-3.55,2.86,;-5.53,4.65,;-6.56,3.5,;-6.01,6.11,;-7.51,6.43,;-4.98,7.26,;.62,3.26,;1.53,2.02,;2.99,2.49,;-.92,3.26,;-1.69,4.6,;-1.69,1.93,;-.92,.6,;.41,1.37,;-.15,-.74,;-2.25,-.17,;-2.25,-1.71,;-3.59,-2.48,;-4.92,-1.71,;-4.92,-.17,;-3.59,.6,)| Show InChI InChI=1S/C36H42ClN5O5S/c1-23-20-26(21-24(2)33(23)37)47-18-11-16-29-28-14-10-15-30(32-25(3)42(6)39-31(32)22-46-19-17-41(4)5)34(28)38-35(29)36(43)40-48(44,45)27-12-8-7-9-13-27/h7-10,12-15,20-21,38H,11,16-19,22H2,1-6H3,(H,40,43)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM289083 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1,5-...) Show SMILES Cc1c(c(COc2cccnc2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(7.76,-1.79,;6.3,-2.27,;5.05,-1.36,;3.81,-2.27,;2.34,-1.79,;1.2,-2.82,;1.52,-4.33,;2.98,-4.8,;3.3,-6.31,;2.16,-7.34,;.69,-6.87,;.37,-5.36,;4.28,-3.73,;5.82,-3.73,;6.73,-4.98,;5.05,.18,;6.39,.95,;6.39,2.49,;5.05,3.26,;3.72,2.49,;2.26,2.96,;1.78,4.43,;.27,4.75,;-.2,6.21,;-1.71,6.53,;-2.19,8,;-3.69,8.32,;-4.17,9.78,;-5.67,10.1,;-3.14,10.93,;-3.61,12.39,;-1.63,10.61,;-.6,11.75,;-1.15,9.14,;1.35,1.72,;2.26,.47,;3.72,.95,;-.19,1.72,;-.96,3.05,;-.96,.38,;-2.5,.38,;-2.5,1.92,;-2.5,-1.16,;-4.04,.38,;-4.81,-.95,;-6.35,-.95,;-7.12,.38,;-6.35,1.72,;-4.81,1.72,)| Show InChI InChI=1S/C37H36ClN5O5S/c1-23-19-27(20-24(2)34(23)38)47-18-10-16-30-29-14-8-15-31(33-25(3)43(4)41-32(33)22-48-26-11-9-17-39-21-26)35(29)40-36(30)37(44)42-49(45,46)28-12-6-5-7-13-28/h5-9,11-15,17,19-21,40H,10,16,18,22H2,1-4H3,(H,42,44)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM289082 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1,5-...) Show SMILES Cc1c(c(COc2ccccn2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(7.76,-1.79,;6.3,-2.27,;5.05,-1.36,;3.81,-2.27,;2.34,-1.79,;1.2,-2.82,;1.52,-4.33,;2.98,-4.8,;3.3,-6.31,;2.16,-7.34,;.69,-6.87,;.37,-5.36,;4.28,-3.73,;5.82,-3.73,;6.73,-4.98,;5.05,.18,;6.39,.95,;6.39,2.49,;5.05,3.26,;3.72,2.49,;2.26,2.96,;1.78,4.43,;.27,4.75,;-.2,6.21,;-1.71,6.53,;-2.19,8,;-3.69,8.32,;-4.17,9.78,;-5.67,10.1,;-3.14,10.93,;-3.61,12.39,;-1.63,10.61,;-.6,11.75,;-1.15,9.14,;1.35,1.72,;2.26,.47,;3.72,.95,;-.19,1.72,;-.96,3.05,;-.96,.38,;-2.5,.38,;-2.5,1.92,;-2.5,-1.16,;-4.04,.38,;-4.81,-.95,;-6.35,-.95,;-7.12,.38,;-6.35,1.72,;-4.81,1.72,)| Show InChI InChI=1S/C37H36ClN5O5S/c1-23-20-26(21-24(2)34(23)38)47-19-11-16-29-28-14-10-15-30(33-25(3)43(4)41-31(33)22-48-32-17-8-9-18-39-32)35(28)40-36(29)37(44)42-49(45,46)27-12-6-5-7-13-27/h5-10,12-15,17-18,20-21,40H,11,16,19,22H2,1-4H3,(H,42,44)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50160010 (CHEMBL3786147 | US10093640, Example 305 | US108440...) Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.12,.35,;5.89,.33,;7.24,2.75,;8.78,2.77,;9.54,4.11,;8.75,5.44,;7.21,5.42,;6.46,4.07,)| Show InChI InChI=1S/C31H31ClN4O4S/c1-18-16-22(17-19(2)28(18)32)40-15-9-14-25-24-12-8-13-26(27-20(3)34-35-21(27)4)29(24)33-30(25)31(37)36-41(38,39)23-10-6-5-7-11-23/h5-8,10-13,16-17,33H,9,14-15H2,1-4H3,(H,34,35)(H,36,37)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM289080 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-is...) Show SMILES CC(C)n1nccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H33ClN4O4S/c1-20(2)37-28(15-16-34-37)27-13-8-12-25-26(14-9-17-41-23-18-21(3)29(33)22(4)19-23)31(35-30(25)27)32(38)36-42(39,40)24-10-6-5-7-11-24/h5-8,10-13,15-16,18-20,35H,9,14,17H2,1-4H3,(H,36,38)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM289079 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phen...) Show SMILES CCCn1nccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H33ClN4O4S/c1-4-17-37-28(15-16-34-37)27-13-8-12-25-26(14-9-18-41-23-19-21(2)29(33)22(3)20-23)31(35-30(25)27)32(38)36-42(39,40)24-10-6-5-7-11-24/h5-8,10-13,15-16,19-20,35H,4,9,14,17-18H2,1-3H3,(H,36,38)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM289078 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-et...) Show SMILES CCn1nccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H31ClN4O4S/c1-4-36-27(15-16-33-36)26-13-8-12-24-25(14-9-17-40-22-18-20(2)28(32)21(3)19-22)30(34-29(24)26)31(37)35-41(38,39)23-10-6-5-7-11-23/h5-8,10-13,15-16,18-19,34H,4,9,14,17H2,1-3H3,(H,35,37)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM289076 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(2-me...) Show SMILES COc1nccc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-.09,-1.42,;.54,-2.83,;1.87,-3.6,;1.87,-5.14,;3.21,-5.91,;4.54,-5.14,;4.54,-3.6,;5.87,-2.83,;3.21,-2.83,;3.21,-1.29,;4.54,-.52,;4.54,1.02,;3.21,1.79,;1.87,1.02,;.41,1.5,;-.07,2.96,;.96,4.11,;.49,5.57,;1.52,6.72,;1.04,8.18,;-.47,8.5,;-.94,9.97,;-2.45,10.29,;.09,11.11,;-.39,12.57,;1.59,10.79,;2.63,11.93,;2.07,9.33,;-.5,.25,;.41,-.99,;1.87,-.52,;-2.04,.25,;-2.81,1.59,;-2.81,-1.08,;-2.04,-2.41,;-3.37,-3.18,;-.7,-1.64,;-1.27,-3.75,;.27,-3.75,;1.04,-5.08,;.27,-6.42,;-1.27,-6.42,;-2.04,-5.08,)| Show InChI InChI=1S/C33H32ClN3O5S/c1-20-15-16-35-33(41-4)28(20)27-13-8-12-25-26(14-9-17-42-23-18-21(2)29(34)22(3)19-23)31(36-30(25)27)32(38)37-43(39,40)24-10-6-5-7-11-24/h5-8,10-13,15-16,18-19,36H,9,14,17H2,1-4H3,(H,37,38)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM289075 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(7-me...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cn3nnnc3cc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C32H29ClN6O4S/c1-19-17-28-35-37-38-39(28)18-27(19)26-12-7-11-24-25(13-8-14-43-22-15-20(2)29(33)21(3)16-22)31(34-30(24)26)32(40)36-44(41,42)23-9-5-4-6-10-23/h4-7,9-12,15-18,34H,8,13-14H2,1-3H3,(H,36,40)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38065 (4-chloro-3-(3-(4-chloro-3-methylphenoxy)propyl)-N-...) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(=O)NS(C)(=O)=O)ccc1Cl Show InChI InChI=1S/C19H15N3O4S/c1-2-25-17-13(6-5-9-20-17)18(24)26-11-12-10-16(23)22-14-7-3-4-8-15(14)27-19(22)21-12/h3-10H,2,11H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38066 (4-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl...) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl Show InChI InChI=1S/C14H13N3O3S/c18-11(16-14-15-6-8-21-14)5-7-17-12(19)9-3-1-2-4-10(9)13(17)20/h1-4H,5-8H2,(H,15,16,18)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38101 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3,5-...) Show SMILES Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.45,-6.66,;-2.78,-7.43,;-3.26,-8.9,;-4.8,-8.9,;-5.27,-7.43,;-6.61,-6.66,;-4.03,-6.53,;-4.03,-4.99,;-5.36,-4.22,;-5.36,-2.68,;-4.03,-1.91,;-2.69,-2.68,;-1.23,-2.2,;-.83,-.72,;-1.92,.37,;-1.52,1.86,;-2.61,2.95,;-2.21,4.44,;-3.3,5.53,;-2.9,7.01,;-3.99,8.1,;-1.41,7.41,;-1.02,8.9,;-.32,6.32,;1.16,6.72,;-.72,4.84,;-.32,-3.45,;-1.23,-4.7,;-2.69,-4.22,;1.22,-3.45,;1.99,-2.12,;1.99,-4.78,;3.53,-4.78,;4.3,-3.45,;3.53,-3.24,;4.3,-6.12,;3.53,-7.45,;4.3,-8.78,;5.84,-8.78,;6.61,-7.45,;5.84,-6.12,)| Show InChI InChI=1S/C22H30N4O2/c1-2-19-11-6-7-15-25(19)16-8-14-23-21(27)17-26-22(28)13-12-20(24-26)18-9-4-3-5-10-18/h3-5,9-10,12-13,19H,2,6-8,11,14-17H2,1H3,(H,23,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50160000 (CHEMBL3786018 | US10093640, Example 89 | US1084403...) Show SMILES Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H30ClN3O4S/c1-20-14-15-34-19-28(20)27-12-7-11-25-26(13-8-16-40-23-17-21(2)29(33)22(3)18-23)31(35-30(25)27)32(37)36-41(38,39)24-9-5-4-6-10-24/h4-7,9-12,14-15,17-19,35H,8,13,16H2,1-3H3,(H,36,37)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38103 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(4-me...) Show SMILES COc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H20N2O3S/c1-8-7-20-12(15-8)16-10(17)9-5-6-14(4,11(18)19)13(9,2)3/h7,9H,5-6H2,1-4H3,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38104 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phen...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccnc3ccccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C24H21ClN4O4S/c1-13-8-9-20(14(2)10-13)29-23(17-11-34(31,32)12-19(17)27-29)26-24(30)21-15(3)33-28-22(21)16-6-4-5-7-18(16)25/h4-10H,11-12H2,1-3H3,(H,26,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38109 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(2-me...) Show SMILES Cc1sccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H27N3O3/c1-3-26-20(25)23-12-10-16(11-13-23)21-19(24)9-8-15-14-22(2)18-7-5-4-6-17(15)18/h4-7,14,16H,3,8-13H2,1-2H3,(H,21,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38110 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3-me...) Show SMILES Cc1ccsc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H24N2O3S/c1-2-22(20,21)18-12-9-15(10-13-18)16(19)17-11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,17,19)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38112 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-me...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccnn2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C17H30N4O5S/c1-2-26-17(23)19-13-11-18(12-14-19)16(22)15-5-9-21(10-6-15)27(24,25)20-7-3-4-8-20/h15H,2-14H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38114 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(1-me...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccn2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C19H21ClN4O4/c1-2-28-19(27)23-11-9-22(10-12-23)18(26)13-24-17(25)8-7-16(21-24)14-3-5-15(20)6-4-14/h3-8H,2,9-13H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38115 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phen...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ncccc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C19H39N3O4S/c1-6-26-13-7-10-20-19(23)18-8-11-21(12-9-18)27(24,25)22(14-16(2)3)15-17(4)5/h16-18H,6-15H2,1-5H3,(H,20,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38119 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phen...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cnccc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C23H26N4O5/c1-5-21-25-27(23(29)17-13-19-16(26(17)21)9-11-32-19)14(2)22(28)24-10-8-15-6-7-18(30-3)20(12-15)31-4/h6-7,9,11-14H,5,8,10H2,1-4H3,(H,24,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38120 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-N-(phen...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccncc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C22H21N3O3S2/c1-5-25-20(27)19(21-24(3)17-12-16(28-4)10-11-18(17)29-21)30-22(25)23-15-8-6-14(7-9-15)13(2)26/h6-12H,5H2,1-4H3/b21-19-,23-22?	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38131 (4-bromo-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)...) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(Br)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl Show InChI InChI=1S/C17H18ClNO4S/c18-14-5-3-13(4-6-14)11-24(21,22)12-15-7-8-16(23-15)17(20)19-9-1-2-10-19/h3-8H,1-2,9-12H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38134 (3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-4-methy...) Show SMILES Cc1cc(OCCCc2c([nH]c3cccc(C)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl Show InChI InChI=1S/C21H21N7O2/c1-25-17-6-3-2-5-15(17)16-13-24-28(20(30)19(16)25)14-18(29)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h2-8,13H,9-12,14H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM38141 (6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl...) Show SMILES Cc1cc(OCCCc2c([nH]c3c(-c4cnn(C)c4)c(Cl)ccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C14H13F3N4O6S/c1-25-10-7-11(26-2)19-12(18-10)20-13(22)21-28(23,24)9-5-3-8(4-6-9)27-14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair

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