Compile Data Set for Download or QSAR

Found 1596 hits with Last Name = 'constantineau-forget' and Initial = 'l'   

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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452629 (7-bromo-5-methyl-3-[[3- [rac-(3R,5R)-5-(4- chlorop...) Show SMILES Cc1nc(Br)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H16BrClN6O3/c1-10-16-18(28)26(9-22-27(16)19(20)23-10)7-15-24-17(25-30-15)12-6-14(29-8-12)11-2-4-13(21)5-3-11/h2-5,9,12,14H,6-8H2,1H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM635953 ((1R,2S)-2-(3-((5-chloro-6-(1,1-dioxidothiomorpholi...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCS(=O)(=O)CC6)c5Cl)C(C)C)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM635903 ((1R,2S)-2-(3-{[(3S)-3-hydroxy-2,3-dihydro-1-benzof...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cccc6[C@H](O)COc56)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.375	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452561 (5-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C20H18ClN5O3/c1-25-11-22-15-6-7-26(20(27)18(15)25)9-17-23-19(24-29-17)13-8-16(28-10-13)12-2-4-14(21)5-3-12/h2-7,11,13,16H,8-10H2,1H3/t13-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM635951 ((1R,2S)-2-(3-{[5-chloro-2-cyclopropyl-6-(3-hydroxy...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CC(O)C6)c5Cl)C5CC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.434	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50073587 (CHEMBL3408947 | US10358436, Example A185 | US20230...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	0.496	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636141 (5-methoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N(C)C5(C)COC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.564	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636146 (5-ethoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-di...) Show SMILES CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(=O)(=O)NC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636127 ((1R,2S)-5'-methoxy-2-(3-{[3-methoxy-5-(8-oxa-3-aza...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CC6CCC(C5)O6)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636134 ((1R,2S)-2-(3-{[5-(azetidine-1-carbonyl)-3-methoxyp...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(=O)N5CCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452526 (2-amino-3-((3-((3R,5R)- 5-(4- chlorophenyl)tetrahy...) Show SMILES Cc1cnn2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H18ClN7O3/c1-10-7-22-27-16(10)18(28)26(19(21)24-27)8-15-23-17(25-30-15)12-6-14(29-9-12)11-2-4-13(20)5-3-11/h2-5,7,12,14H,6,8-9H2,1H3,(H2,21,24)/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM635884 ((1R,2S)-2-(3-{[5-chloro-6-(morpholin-4-yl)pyrimidi...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCOCC6)c5Cl)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.694	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636070 ((1R,2S)-5'-methoxy-2-{3-[2-methoxy-4-(morpholine-4...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(cc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.716	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452576 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C21H18ClN5O3/c1-12-6-7-23-20-18(12)21(28)27(11-24-20)9-17-25-19(26-30-17)14-8-16(29-10-14)13-2-4-15(22)5-3-13/h2-7,11,14,16H,8-10H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636116 ((1R,2S)-2-[3-({6-[(2R,6S)-2,6-dimethylpiperidine-1...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5[C@@H](C)CCC[C@H]5C)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.738	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636145 ((1R,2S)-2-(3-{[5-(ethanesulfonyl)-3-ethoxypyridin-...) Show SMILES CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(=O)(=O)CC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.763	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636135 ((1R,2S)-5'-methoxy-2-(3-{[3-methoxy-5-(morpholine-...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.785	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452629 (7-bromo-5-methyl-3-[[3- [rac-(3R,5R)-5-(4- chlorop...) Show SMILES Cc1nc(Br)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H16BrClN6O3/c1-10-16-18(28)26(9-22-27(16)19(20)23-10)7-15-24-17(25-30-15)12-6-14(29-8-12)11-2-4-13(21)5-3-11/h2-5,9,12,14H,6-8H2,1H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452570 (3-((3-((3R,5R)-5-(4- chlorophenyl)tetra- hydrofura...) Show SMILES Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN6O3/c1-11-7-21-26-17(11)19(27)25(10-22-26)8-16-23-18(24-29-16)13-6-15(28-9-13)12-2-4-14(20)5-3-12/h2-5,7,10,13,15H,6,8-9H2,1H3/t13-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636037 (6-methoxy-5-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.802	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636149 ((1R,2S)-2-(3-{[6-(2-hydroxypropan-2-yl)-3-methoxyp...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ccc5OC)C(C)(C)O)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.804	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636077 (2-fluoro-5-methoxy-4-({6-[(1R,2S)-5'-methoxy-2'-ox...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(F)c(cc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.806	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636075 (5-methoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N(C)C)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM635997 ((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(propan-2-yl...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)C(C)C)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.833	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636143 ((1R,2S)-2-{3-[2-ethoxy-4-(methanesulfonyl)anilino]...) Show SMILES CCOc1cc(ccc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(C)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.833	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636117 ((1R,2S)-5'-methoxy-2-(3-{[2-methoxy-6-(8-oxa-3-aza...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5CC6CCC(C5)O6)n[nH]c4c3)c2c1 |TLB:26:28:35:31.32| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.843	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636139 ((1R,2S)-2-(3-{[5-(azetidine-1-sulfonyl)-3-methoxyp...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.874	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452523 (1-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- fura...) Show SMILES Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17ClN6O3/c1-25-9-21-18-16(25)19(27)26(10-22-18)7-15-23-17(24-29-15)12-6-14(28-8-12)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020) BindingDB Entry DOI: 10.7270/Q251429W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636140 (5-methoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)NC5(C)COC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636079 ((1R,2S)-2-{3-[5-fluoro-2-methoxy-4-(morpholine-4-c...) Show SMILES CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(C)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.897	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636078 ((1R,2S)-2-{3-[5-fluoro-2-methoxy-4-(morpholine-4-c...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(F)c(cc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.952	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636089 (N,6-dimethoxy-5-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',...) Show SMILES CON(C)C(=O)c1ccc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c(OC)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.955	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636065 (6-methoxy-5-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N(C)C(C)C)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.965	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636130 ((1R,2S)-5'-methoxy-2-(3-{[3-methoxy-5-(oxane-4-sul...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)C5CCOCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.971	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636026 ((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(oxan-4-yl)p...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)C5CCOCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.976	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636040 ((1R,2S)-2-[3-({2-[(3R)-3-fluoropyrrolidin-1-yl]-5-...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CC[C@@H](F)C5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.995	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM635947 ((1R,2S)-2-(3-{[5-chloro-6-(3-hydroxyazetidin-1-yl)...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc(N6CC(O)C6)c5Cl)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.997	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636085 (6-ethoxy-5-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-di...) Show SMILES CCOc1nc(ccc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)C(=O)N(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.01	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636027 ((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(methylsulfa...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(SC)ncc5OC)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.03	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636103 ((1R,2S)-5'-methoxy-2-(3-{[2-methoxy-6-(3-oxa-8-aza...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5C6CCC5COC6)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.03	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636074 (5-ethoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-di...) Show SMILES CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)C(=O)N(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.04	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636060 ((1R,2S)-2-(3-{[2-(4,4-difluoropiperidin-1-yl)-5-me...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCC(F)(F)CC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.04	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636068 (5-methoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.08	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM635945 ((1R,2S)-2-(3-((5-chloro-2-cyclopropyl-6-(1,1-dioxi...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCS(=O)(=O)CC6)c5Cl)C5CC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636064 ((1R,2S)-2-(3-{[5-(methanesulfonyl)-3-methoxypyridi...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(C)(=O)=O)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM635972 ((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(morpholin-4...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCOCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636114 (N,N-dicyclopropyl-6-methoxy-5-({6-[(1R,2S)-5'-meth...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N(C5CC5)C5CC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636126 ((1R,2S)-5'-methoxy-2-(3-{[3-methoxy-5-(morpholine-...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CCOCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636038 ((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(pyrrolidin-...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCCC5)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM636088 ((1R,2S)-5'-methoxy-2-{3-[(3-methoxy-1,5-naphthyrid...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc6cccnc6cc5OC)n[nH]c4c3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1596 total )  |  Next  |  Last  >>

Jump to: