Compile Data Set for Download or QSAR

Found 708 hits with Last Name = 'lei' and Initial = 'z'   

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
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50595797 (CHEMBL5171401) Show SMILES CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(cc23)C(=O)N[C@H]2CC(C)(C)Oc3ccccc23)C(=N)N1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50595792 (CHEMBL5182418) Show SMILES CCC[C@@H](N1C(=O)CC(CC)(CC)NC1=N)c1cccc(c1)C(=O)N[C@H]1CCOc2ccccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50595793 (CHEMBL5187792) Show SMILES CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(cc23)C(=O)N[C@@H]2CCOc3ccccc23)C(=N)N1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50595794 (CHEMBL5193119) Show SMILES CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(cc23)C(=O)N[C@H]2CCS(=O)(=O)c3ccccc23)C(=N)N1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50595796 (CHEMBL5199100) Show SMILES CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(cc23)C(=O)N[C@@H]2c3ccccc3OC2(C)C)C(=N)N1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin)				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin)				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50595795 (CHEMBL5207556) Show SMILES CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(cc23)C(=O)N[C@H]2CCCOc3ccccc23)C(=N)N1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331031 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCCN(CCN3CCOCC3)C(=O)c12 Show InChI InChI=1S/C24H27FN4O3/c1-15-21(14-18-17-13-16(25)4-5-19(17)27-23(18)30)26-20-3-2-6-29(24(31)22(15)20)8-7-28-9-11-32-12-10-28/h4-5,13-14,26H,2-3,6-12H2,1H3,(H,27,30)/b18-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50331028 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCN(CCN3CCOCC3)C(=O)c12 Show InChI InChI=1S/C23H25FN4O3/c1-14-20(13-17-16-12-15(24)2-3-18(16)26-22(17)29)25-19-4-5-28(23(30)21(14)19)7-6-27-8-10-31-11-9-27/h2-3,12-13,25H,4-11H2,1H3,(H,26,29)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331029 ((R,Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-yliden...) Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCN(C[C@H](O)CN3CCOCC3)C(=O)c12 |r| Show InChI InChI=1S/C24H27FN4O4/c1-14-21(11-18-17-10-15(25)2-3-19(17)27-23(18)31)26-20-4-5-29(24(32)22(14)20)13-16(30)12-28-6-8-33-9-7-28/h2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31)/b18-11-/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50331029 ((R,Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-yliden...) Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCN(C[C@H](O)CN3CCOCC3)C(=O)c12 |r| Show InChI InChI=1S/C24H27FN4O4/c1-14-21(11-18-17-10-15(25)2-3-19(17)27-23(18)31)26-20-4-5-29(24(32)22(14)20)13-16(30)12-28-6-8-33-9-7-28/h2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31)/b18-11-/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50331026 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES CN(C)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O Show InChI InChI=1S/C21H23FN4O2/c1-12-18(11-15-14-10-13(22)4-5-16(14)24-20(15)27)23-17-6-7-26(9-8-25(2)3)21(28)19(12)17/h4-5,10-11,23H,6-9H2,1-3H3,(H,24,27)/b15-11-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Plasmepsin IX (Plasmodium falciparum (isolate 3D7))	BDBM50595797 (CHEMBL5171401) Show SMILES CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(cc23)C(=O)N[C@H]2CC(C)(C)Oc3ccccc23)C(=N)N1 |r| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair
Plasmepsin X (Plasmodium falciparum (isolate 3D7))	BDBM50595790 (CHEMBL5197877) Show SMILES CC(C)[C@]1(C)CC(=O)N([C@H](c2ccccc2)c2cccc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331026 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES CN(C)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O Show InChI InChI=1S/C21H23FN4O2/c1-12-18(11-15-14-10-13(22)4-5-16(14)24-20(15)27)23-17-6-7-26(9-8-25(2)3)21(28)19(12)17/h4-5,10-11,23H,6-9H2,1-3H3,(H,24,27)/b15-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human VEGFR2 after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50331023 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydroindol-3-ylideneme...) Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O Show InChI InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331023 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydroindol-3-ylideneme...) Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O Show InChI InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of VEGFR2-induced cell proliferation in HUVEC after 72 hrs by sulforhodamine B method				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50331024 ((Z)-2-(5-Chloro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(Cl)cc34)c(C)c2C1=O Show InChI InChI=1S/C23H27ClN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human PDGFRbeta after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Plasmepsin IX (Plasmodium falciparum (isolate 3D7))	BDBM50595793 (CHEMBL5187792) Show SMILES CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(cc23)C(=O)N[C@@H]2CCOc3ccccc23)C(=N)N1 |r| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50028525 (CHEMBL3355596) Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)CSc2cccc3ccccc23)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C24H28N4O8S/c1-12(30)26-20-15(9-17(23(34)35)36-22(20)21(33)16(31)10-29)27-24(25)28-19(32)11-37-18-8-4-6-13-5-2-3-7-14(13)18/h2-9,15-16,20-22,29,31,33H,10-11H2,1H3,(H,26,30)(H,34,35)(H3,25,27,28,32)/t15-,16+,20+,21+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Wuyi University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1) Neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate addition and...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111841 BindingDB Entry DOI: 10.7270/Q2930XD0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267389 (2-fluoro-3-((1-((5-(4-fluorophenyl)-6-oxo-1,6-dihy...) Show SMILES Fc1ccc(cc1)-c1cc(Cn2cnc(c(Oc3cccc(C#N)c3F)c2=O)C(F)(F)F)n[nH]c1=O Show InChI InChI=1S/C23H12F5N5O3/c24-14-6-4-12(5-7-14)16-8-15(31-32-21(16)34)10-33-11-30-20(23(26,27)28)19(22(33)35)36-17-3-1-2-13(9-29)18(17)25/h1-8,11H,10H2,(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267390 (3-chloro-5-((1-((5-(4- fluorophenyl)-6-oxo- 1,6-di...) Show SMILES FC(F)Oc1ncn(Cc2cc(-c3ccc(F)cc3)c(=O)[nH]n2)c(=O)c1Oc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C23H13ClF3N5O4/c24-14-5-12(9-28)6-17(7-14)35-19-21(36-23(26)27)29-11-32(22(19)34)10-16-8-18(20(33)31-30-16)13-1-3-15(25)4-2-13/h1-8,11,23H,10H2,(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267395 (3-((4-(1,1-difluoroethyl)-1-((5-(4-fluorophenyl)-6...) Show SMILES CC(F)(F)c1ncn(Cc2cc(-c3ccc(F)cc3)c(=O)[nH]n2)c(=O)c1Oc1cccc(C#N)c1F Show InChI InChI=1S/C24H15F4N5O3/c1-24(27,28)21-20(36-18-4-2-3-14(10-29)19(18)26)23(35)33(12-30-21)11-16-9-17(22(34)32-31-16)13-5-7-15(25)8-6-13/h2-9,12H,11H2,1H3,(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267399 (3-chloro-5-((4-(1,1- difluoroethyl)-1-((6- (difluo...) Show SMILES CC(F)(F)c1ncn(Cc2cc(n[nH]c2=O)C(F)F)c(=O)c1Oc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C19H12ClF4N5O3/c1-19(23,24)15-14(32-12-3-9(6-25)2-11(20)5-12)18(31)29(8-26-15)7-10-4-13(16(21)22)27-28-17(10)30/h2-5,8,16H,7H2,1H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267334 (3-chloro-5-((6-oxo-1-((3-oxo-6-phenyl-2,3-dihydrop...) Show SMILES FC(F)(F)c1ncn(Cc2cc(n[nH]c2=O)-c2ccccc2)c(=O)c1Oc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C23H13ClF3N5O3/c24-16-6-13(10-28)7-17(9-16)35-19-20(23(25,26)27)29-12-32(22(19)34)11-15-8-18(30-31-21(15)33)14-4-2-1-3-5-14/h1-9,12H,11H2,(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50331027 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCN(CCN3CCCC3)C(=O)c12 Show InChI InChI=1S/C23H25FN4O2/c1-14-20(13-17-16-12-15(24)4-5-18(16)26-22(17)29)25-19-6-9-28(23(30)21(14)19)11-10-27-7-2-3-8-27/h4-5,12-13,25H,2-3,6-11H2,1H3,(H,26,29)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267245 (3-chloro-5-((6-oxo-1-((6-oxo-5-phenyl-1,6-dihydrop...) Show SMILES FC(F)(F)c1ncn(Cc2cc(-c3ccccc3)c(=O)[nH]n2)c(=O)c1Oc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C23H13ClF3N5O3/c24-15-6-13(10-28)7-17(8-15)35-19-20(23(25,26)27)29-12-32(22(19)34)11-16-9-18(21(33)31-30-16)14-4-2-1-3-5-14/h1-9,12H,11H2,(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267252 (3-chloro-5-((1-((5- (3,4-difluorophenyl)- 6-oxo-1,...) Show SMILES Fc1ccc(cc1F)-c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O Show InChI InChI=1S/C23H11ClF5N5O3/c24-13-3-11(8-30)4-15(6-13)37-19-20(23(27,28)29)31-10-34(22(19)36)9-14-7-16(21(35)33-32-14)12-1-2-17(25)18(26)5-12/h1-7,10H,9H2,(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267287 (3-chloro-5-((1-((5- (2,3- dihydrobenzofuran-5- yl)...) Show SMILES FC(F)(F)c1ncn(Cc2cc(-c3ccc4OCCc4c3)c(=O)[nH]n2)c(=O)c1Oc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C25H15ClF3N5O4/c26-16-5-13(10-30)6-18(8-16)38-21-22(25(27,28)29)31-12-34(24(21)36)11-17-9-19(23(35)33-32-17)14-1-2-20-15(7-14)3-4-37-20/h1-2,5-9,12H,3-4,11H2,(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50331025 ((Z)-2-(5-Bromo-2-oxo-1,2-dihydro-indol-3-ylideneme...) Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(Br)cc34)c(C)c2C1=O Show InChI InChI=1S/C23H27BrN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human PDGFRbeta after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50331026 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES CN(C)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O Show InChI InChI=1S/C21H23FN4O2/c1-12-18(11-15-14-10-13(22)4-5-16(14)24-20(15)27)23-17-6-7-26(9-8-25(2)3)21(28)19(12)17/h4-5,10-11,23H,6-9H2,1-3H3,(H,24,27)/b15-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human PDGFRbeta after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267344 (3-chloro-5-((1-((6- (2,3- difluorophenyl)-3- oxo-2...) Show SMILES Fc1cccc(c1F)-c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)c(=O)[nH]n1 Show InChI InChI=1S/C23H11ClF5N5O3/c24-13-4-11(8-30)5-14(7-13)37-19-20(23(27,28)29)31-10-34(22(19)36)9-12-6-17(32-33-21(12)35)15-2-1-3-16(25)18(15)26/h1-7,10H,9H2,(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267393 (3-chloro-5-((1-((5-(4-fluorophenyl)-6-oxo-1,6-dihy...) Show SMILES Cc1ncn(Cc2cc(-c3ccc(F)cc3)c(=O)[nH]n2)c(=O)c1Oc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C23H15ClFN5O3/c1-13-21(33-19-7-14(10-26)6-16(24)8-19)23(32)30(12-27-13)11-18-9-20(22(31)29-28-18)15-2-4-17(25)5-3-15/h2-9,12H,11H2,1H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267275 (3-chloro-5-((1-((5-(3- fluoro-4- methoxyphenyl)-6-...) Show SMILES COc1ccc(cc1F)-c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O Show InChI InChI=1S/C24H14ClF4N5O4/c1-37-19-3-2-13(6-18(19)26)17-8-15(32-33-22(17)35)10-34-11-31-21(24(27,28)29)20(23(34)36)38-16-5-12(9-30)4-14(25)7-16/h2-8,11H,10H2,1H3,(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50331031 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCCN(CCN3CCOCC3)C(=O)c12 Show InChI InChI=1S/C24H27FN4O3/c1-15-21(14-18-17-13-16(25)4-5-19(17)27-23(18)30)26-20-3-2-6-29(24(31)22(15)20)8-7-28-9-11-32-12-10-28/h4-5,13-14,26H,2-3,6-12H2,1H3,(H,27,30)/b18-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267350 (3-chloro-5-((6-oxo- 1-((3-oxo-6-(1H- pyrrolo[2,3- ...) Show SMILES FC(F)(F)c1ncn(Cc2cc(n[nH]c2=O)-c2ccnc3[nH]ccc23)c(=O)c1Oc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C24H13ClF3N7O3/c25-14-5-12(9-29)6-15(8-14)38-19-20(24(26,27)28)32-11-35(23(19)37)10-13-7-18(33-34-22(13)36)16-1-3-30-21-17(16)2-4-31-21/h1-8,11H,10H2,(H,30,31)(H,34,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267352 (3-chloro-5-((1-((6-(difluoromethyl)-3-oxo-2,3-dihy...) Show SMILES FC(F)c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)c(=O)[nH]n1 Show InChI InChI=1S/C18H9ClF5N5O3/c19-10-1-8(5-25)2-11(4-10)32-13-14(18(22,23)24)26-7-29(17(13)31)6-9-3-12(15(20)21)27-28-16(9)30/h1-4,7,15H,6H2,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267253 (3-chloro-5-((1-((5-(4- (difluoromethoxy) phenyl)-6...) Show SMILES FC(F)Oc1ccc(cc1)-c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O Show InChI InChI=1S/C24H13ClF5N5O4/c25-14-5-12(9-31)6-17(7-14)38-19-20(24(28,29)30)32-11-35(22(19)37)10-15-8-18(21(36)34-33-15)13-1-3-16(4-2-13)39-23(26)27/h1-8,11,23H,10H2,(H,34,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267259 (3-chloro-5-((1-((5-(3- chlorophenyl)-6-oxo- 1,6-di...) Show SMILES FC(F)(F)c1ncn(Cc2cc(-c3cccc(Cl)c3)c(=O)[nH]n2)c(=O)c1Oc1cc(Cl)cc(c1)C#N Show InChI InChI=1S/C23H12Cl2F3N5O3/c24-14-3-1-2-13(6-14)18-8-16(31-32-21(18)34)10-33-11-30-20(23(26,27)28)19(22(33)35)36-17-5-12(9-29)4-15(25)7-17/h1-8,11H,10H2,(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267267 (3-chloro-5-((1-((5-(2- fluoro-3- methoxyphenyl)-6-...) Show SMILES COc1cccc(c1F)-c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O Show InChI InChI=1S/C24H14ClF4N5O4/c1-37-18-4-2-3-16(19(18)26)17-8-14(32-33-22(17)35)10-34-11-31-21(24(27,28)29)20(23(34)36)38-15-6-12(9-30)5-13(25)7-15/h2-8,11H,10H2,1H3,(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50331027 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(F)cc23)[nH]c2CCN(CCN3CCCC3)C(=O)c12 Show InChI InChI=1S/C23H25FN4O2/c1-14-20(13-17-16-12-15(24)4-5-18(16)26-22(17)29)25-19-6-9-28(23(30)21(14)19)11-10-27-7-2-3-8-27/h4-5,12-13,25H,2-3,6-11H2,1H3,(H,26,29)/b17-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human PDGFRbeta after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267281 (3-chloro-5-((1-((5-(3- fluoro-4- methylphenyl)-6-o...) Show SMILES Cc1ccc(cc1F)-c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O Show InChI InChI=1S/C24H14ClF4N5O3/c1-12-2-3-14(6-19(12)26)18-8-16(32-33-22(18)35)10-34-11-31-21(24(27,28)29)20(23(34)36)37-17-5-13(9-30)4-15(25)7-17/h2-8,11H,10H2,1H3,(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM267300 (3-chloro-5-((1-((5-(4-fluorophenyl)-6-oxo-1,6-dihy...) Show SMILES Fc1ccc(cc1)-c1cc(Cn2cnc(c(Oc3cc(Cl)cc(c3)C#N)c2=O)C(F)(F)F)n[nH]c1=O Show InChI InChI=1S/C23H12ClF4N5O3/c24-14-5-12(9-29)6-17(7-14)36-19-20(23(26,27)28)30-11-33(22(19)35)10-16-8-18(21(34)32-31-16)13-1-3-15(25)4-2-13/h1-8,11H,10H2,(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sig...				US Patent US9718819 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GDF
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50331023 ((Z)-2-(5-Fluoro-2-oxo-1,2-dihydroindol-3-ylideneme...) Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O Show InChI InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human PDGFRbeta after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50331024 ((Z)-2-(5-Chloro-2-oxo-1,2-dihydro-indol-3-ylidenem...) Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(Cl)cc34)c(C)c2C1=O Show InChI InChI=1S/C23H27ClN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50331025 ((Z)-2-(5-Bromo-2-oxo-1,2-dihydro-indol-3-ylideneme...) Show SMILES CCN(CC)CCN1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(Br)cc34)c(C)c2C1=O Show InChI InChI=1S/C23H27BrN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50331030 ((Z)-5-(2-Diethylamino-ethyl)-2-(5-fluoro-2-oxo-1,2...) Show SMILES CCN(CC)CCN1CCCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O Show InChI InChI=1S/C24H29FN4O2/c1-4-28(5-2)11-12-29-10-6-7-20-22(24(29)31)15(3)21(26-20)14-18-17-13-16(25)8-9-19(17)27-23(18)30/h8-9,13-14,26H,4-7,10-12H2,1-3H3,(H,27,30)/b18-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 30 mins by ELISA				J Med Chem 53: 8140-9 (2010) Article DOI: 10.1021/jm101036c BindingDB Entry DOI: 10.7270/Q2BV7GWF
					More data for this Ligand-Target Pair
Plasmepsin IX (Plasmodium falciparum (isolate 3D7))	BDBM50595792 (CHEMBL5182418) Show SMILES CCC[C@@H](N1C(=O)CC(CC)(CC)NC1=N)c1cccc(c1)C(=O)N[C@H]1CCOc2ccccc12 |r| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00355 BindingDB Entry DOI: 10.7270/Q2F47T4D
					More data for this Ligand-Target Pair

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