Compile Data Set for Download or QSAR

Found 605 hits with Last Name = 'zhi' and Initial = 'y'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM581953 (WO2023004291, Compound CDD-1819) Show SMILES CNC(=O)[C@H]1C[C@@H](C1)n1c(nc2cccc(C(=O)N[C@@H](C)c3ccc4ccccc4c3)c12)-c1cncc2ccccc12 |wU:6.8,wD:4.3,19.20,(10.7,-1.16,;9.23,-.69,;8.91,.82,;10.06,1.85,;7.45,1.3,;6.75,2.67,;5.38,1.97,;6.08,.6,;3.91,2.45,;2.67,1.54,;1.42,2.45,;1.9,3.91,;1.13,5.24,;1.9,6.58,;3.44,6.58,;4.21,5.24,;5.75,5.24,;6.52,6.58,;6.52,3.91,;8.06,3.91,;8.83,2.58,;8.83,5.24,;10.37,5.24,;11.14,6.58,;10.37,7.91,;11.14,9.24,;10.37,10.58,;8.83,10.58,;8.06,9.24,;8.83,7.91,;8.06,6.58,;3.44,3.91,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem	WIPO WO2023004291	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM581952 (WO2023004291, Compound CDD-1830) Show SMILES CNC(=O)CCCn1c(nc2cccc(C(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c12)-c1cncc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM581948 (WO2023004291, Compound CDD-1733) Show SMILES CCC[C@H](NC(=O)c1cccc2nc(-c3cncc4ccccc34)n([C@H]3C[C@@H](C3)C(=O)NC)c12)c1ccc(cc1)C(F)(F)F |wU:25.26,wD:27.31,3.3,(11.14,1.24,;10.37,2.58,;8.83,2.58,;8.06,3.91,;6.52,3.91,;5.75,5.24,;6.52,6.58,;4.21,5.24,;3.44,6.58,;1.9,6.58,;1.13,5.24,;1.9,3.91,;1.42,2.45,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;3.91,2.45,;5.38,1.97,;6.75,2.67,;7.45,1.3,;6.08,.6,;8.91,.82,;10.06,1.85,;9.23,-.69,;10.7,-1.16,;3.44,3.91,;8.83,5.24,;8.06,6.58,;8.83,7.91,;10.37,7.91,;11.14,6.58,;10.37,5.24,;11.14,9.24,;11.91,10.58,;12.47,8.47,;9.8,10.01,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem	WIPO WO2023004291	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM581950 (WO2023004291, Compound CDD-1780) Show SMILES CCC[C@H](NC(=O)c1cccc2nc(-c3cncc4ccccc34)n([C@H]3C[C@@H](C3)C(=O)NC)c12)c1ccc(OC(F)F)cc1 |wU:25.26,wD:27.31,3.3,(11.14,1.24,;10.37,2.58,;8.83,2.58,;8.06,3.91,;6.52,3.91,;5.75,5.24,;6.52,6.58,;4.21,5.24,;3.44,6.58,;1.9,6.58,;1.13,5.24,;1.9,3.91,;1.42,2.45,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;3.91,2.45,;5.38,1.97,;6.75,2.67,;7.45,1.3,;6.08,.6,;8.91,.82,;10.06,1.85,;9.23,-.69,;10.7,-1.16,;3.44,3.91,;8.83,5.24,;8.06,6.58,;8.83,7.91,;10.37,7.91,;11.14,9.24,;10.37,10.58,;8.83,10.58,;11.14,11.91,;11.14,6.58,;10.37,5.24,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab-His6 (2019-nCoV)	BDBM581944 (WO2023004291, Compound CDD-1714) Show SMILES COc1cc(cc(C=O)c1OCC(=O)N1CCC(C1)Oc1cccc(c1)C(=O)N(C)C)-c1cccc2[nH]ncc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM581944 (WO2023004291, Compound CDD-1714) Show SMILES COc1cc(cc(C=O)c1OCC(=O)N1CCC(C1)Oc1cccc(c1)C(=O)N(C)C)-c1cccc2[nH]ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM581951 (WO2023004291, Compound CDD-1795) Show SMILES CCC[C@H](NC(=O)c1cccc2nc(-c3cncc4ccccc34)n([C@H]3C[C@@H](C3)C(=O)NC)c12)c1cccc(c1)C(F)(F)F |wU:25.26,wD:27.31,3.3,(11.14,1.24,;10.37,2.58,;8.83,2.58,;8.06,3.91,;6.52,3.91,;5.75,5.24,;6.52,6.58,;4.21,5.24,;3.44,6.58,;1.9,6.58,;1.13,5.24,;1.9,3.91,;1.42,2.45,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;3.91,2.45,;5.38,1.97,;6.75,2.67,;7.45,1.3,;6.08,.6,;8.91,.82,;10.06,1.85,;9.23,-.69,;10.7,-1.16,;3.44,3.91,;8.83,5.24,;10.37,5.24,;11.14,6.58,;10.37,7.91,;8.83,7.91,;8.06,6.58,;8.06,9.24,;6.52,9.24,;8.83,10.58,;7.29,7.91,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab-His6 (2019-nCoV)	BDBM484197 (CDD-1976 | WO2023004291, Compound CDD-1976) Show SMILES CN(C)C(=O)COc1ccc(cc1C=O)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50407504 (CHEMBL5275740) Show SMILES Nc1nc(N)c2c(Sc3ccc(cc3)C(F)(F)F)cccc2n1 Show InChI InChI=1S/C15H11F3N4S/c16-15(17,18)8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13(19)22-14(20)21-10/h1-7H,(H4,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat prostatic vas deferens (Alpha-1A adrenergic receptor )				Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM484197 (CDD-1976 | WO2023004291, Compound CDD-1976) Show SMILES CN(C)C(=O)COc1ccc(cc1C=O)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab-His6 (2019-nCoV)	BDBM484196 (CDD-1713 | WO2023004291, Compound CDD-1713) Show SMILES COc1cc(cc(C=O)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	WIPO WO2023004291	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM581949 (WO2023004291, Compound CDD-1829) Show SMILES CNC(=O)[C@H]1C[C@@H](C1)n1c(nc2cccc(C(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c12)-c1cncc2ccccc12 |wU:6.8,wD:4.3,19.20,(10.7,-1.16,;9.23,-.69,;8.91,.82,;10.06,1.85,;7.45,1.3,;6.75,2.67,;5.38,1.97,;6.08,.6,;3.91,2.45,;2.67,1.54,;1.42,2.45,;1.9,3.91,;1.13,5.24,;1.9,6.58,;3.44,6.58,;4.21,5.24,;5.75,5.24,;6.52,6.58,;6.52,3.91,;8.06,3.91,;8.83,2.58,;8.83,5.24,;8.06,6.58,;8.83,7.91,;10.37,7.91,;11.14,6.58,;10.37,5.24,;11.14,9.24,;11.91,10.58,;12.47,8.47,;9.8,10.01,;3.44,3.91,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM484196 (CDD-1713 | WO2023004291, Compound CDD-1713) Show SMILES COc1cc(cc(C=O)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	WIPO WO2023004291	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50407504 (CHEMBL5275740) Show SMILES Nc1nc(N)c2c(Sc3ccc(cc3)C(F)(F)F)cccc2n1 Show InChI InChI=1S/C15H11F3N4S/c16-15(17,18)8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13(19)22-14(20)21-10/h1-7H,(H4,19,20,21,22)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of the cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells expressing the human Histamine H3 receptor				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50600 (MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-n...) Show SMILES CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11| Show InChI InChI=1S/C18H18ClNO3/c1-11(21)20(12-7-3-2-4-8-12)16-15(19)17(22)13-9-5-6-10-14(13)18(16)23/h5-6,9-10,12H,2-4,7-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM50407506 (CHEMBL4595333) Show SMILES CC(C)(C)c1ccc(Sc2c(N)ccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C18H21N5S/c1-18(2,3)10-4-6-11(7-5-10)24-15-12(19)8-9-13-14(15)16(20)23-17(21)22-13/h4-9H,19H2,1-3H3,(H4,20,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H1 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Mus musculus (Mouse))	BDBM50407507 (CHEMBL5281819) Show SMILES CCC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C19H22N4S/c1-4-19(2,3)12-8-10-13(11-9-12)24-15-7-5-6-14-16(15)17(20)23-18(21)22-14/h5-11H,4H2,1-3H3,(H4,20,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H3 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 | US9688668, SLR080811) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium				Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50045060 (CHEMBL3309789) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cccc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)c1 Show InChI InChI=1S/C23H18INO7/c1-2-32-23(31)20(27)10-19(26)14-5-3-4-13(8-14)11-25-12-17(22(29)30)21(28)16-9-15(24)6-7-18(16)25/h3-10,12,27H,2,11H2,1H3,(H,29,30)/b20-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Competitive inhibition of PTP1B (unknown origin) using pNPP as substrate by Lineweaver-Burk plot				Bioorg Med Chem 22: 3670-83 (2014) Article DOI: 10.1016/j.bmc.2014.05.028 BindingDB Entry DOI: 10.7270/Q2G44RX2
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50009730 ((E)-2-Amino-octadec-4-ene-1,3-diol | 2-Amino-octad...) Show SMILES CCCCCCCCCCCCC\C=C\C(O)C(N)CO Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars		3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat prostatic vas deferens (alpha1A receptor)				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50407505 (CHEMBL447685) Show SMILES CC(C)(C)c1ccc(Sc2c(ccc3nc(N)nc(N)c23)C#N)cc1 Show InChI InChI=1S/C19H19N5S/c1-19(2,3)12-5-7-13(8-6-12)25-16-11(10-20)4-9-14-15(16)17(21)24-18(22)23-14/h4-9H,1-3H3,(H4,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-phenylephrine-induced contraction of rat spleen (Alpha-1B adrenergic receptor )				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50139649 (CHEMBL3764617) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N\c1ccccc1NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3/b28-19+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars		8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393642 (CHEMBL2158685) Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem		9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H3 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50443388 (CHEMBL3086782 | US9688668, SLR080811) Show SMILES CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| Show InChI InChI=1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-24-20(27-25-19)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H1 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50407505 (CHEMBL447685) Show SMILES CC(C)(C)c1ccc(Sc2c(ccc3nc(N)nc(N)c23)C#N)cc1 Show InChI InChI=1S/C19H19N5S/c1-19(2,3)12-5-7-13(8-6-12)25-16-11(10-20)4-9-14-15(16)17(21)24-18(22)23-14/h4-9H,1-3H3,(H4,21,22,23,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium				Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab-His6 (2019-nCoV)	BDBM581945 (WO2023004291, Compound CDD-1886) Show SMILES COc1cc(cc(C(=O)CO)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Mus musculus)	BDBM50407506 (CHEMBL4595333) Show SMILES CC(C)(C)c1ccc(Sc2c(N)ccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C18H21N5S/c1-18(2,3)10-4-6-11(7-5-10)24-15-12(19)8-9-13-14(15)16(20)23-17(21)22-13/h4-9H,19H2,1-3H3,(H4,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional H2 receptor antagonistic activity in vitro assay on the isolated spontaneously beating guinea-pig right atrium				Citation and Details
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Mus musculus)	BDBM50407507 (CHEMBL5281819) Show SMILES CCC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C19H22N4S/c1-4-19(2,3)12-8-10-13(11-9-12)24-15-7-5-6-14-16(15)17(20)23-18(21)22-14/h5-11H,4H2,1-3H3,(H4,20,21,22,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Functional Histamine H3 receptor antagonistic activity in vitro assay on guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM581945 (WO2023004291, Compound CDD-1886) Show SMILES COc1cc(cc(C(=O)CO)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50139649 (CHEMBL3764617) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N\c1ccccc1NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3/b28-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against (-)-noradrenaline-induced contraction of rat thoracic aorta (Alpha-1D adrenergic receptor)				Citation and Details
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0350	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length VEGFR2 using poly (Glu, Tyr) as substrate by alpha screen assay				Eur J Med Chem 138: 942-951 (2017) Article DOI: 10.1016/j.ejmech.2017.06.057 BindingDB Entry DOI: 10.7270/Q2MK6GDH
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270331 (CHEMBL4086149) Show SMILES CCc1cc2c(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)ncnc2s1 Show InChI InChI=1S/C24H28N8OS/c1-3-18-12-19-22(25-15-26-24(19)34-18)29-20-13-27-30-21(20)23(33)28-17-6-4-16(5-7-17)14-32-10-8-31(2)9-11-32/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,27,30)(H,28,33)(H,25,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.101	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270307 (CHEMBL4092761) Show SMILES CCN(CC)Cc1ccc(NC(=O)c2n[nH]cc2Nc2ncnc3[nH]ccc23)cc1 Show InChI InChI=1S/C21H24N8O/c1-3-29(4-2)12-14-5-7-15(8-6-14)26-21(30)18-17(11-25-28-18)27-20-16-9-10-22-19(16)23-13-24-20/h5-11,13H,3-4,12H2,1-2H3,(H,25,28)(H,26,30)(H2,22,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270330 (CHEMBL4078261) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4scc(C)c34)cc2)CC1 Show InChI InChI=1S/C23H26N8OS/c1-15-13-33-23-19(15)21(24-14-25-23)28-18-11-26-29-20(18)22(32)27-17-5-3-16(4-6-17)12-31-9-7-30(2)8-10-31/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,26,29)(H,27,32)(H,24,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.167	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449547 (CHEMBL4163870) Show SMILES Cc1nc2CCCc2c(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C22H26N8O/c1-14-25-18-4-2-3-17(18)21(26-14)28-19-13-24-29-20(19)22(31)27-15-5-7-16(8-6-15)30-11-9-23-10-12-30/h5-8,13,23H,2-4,9-12H2,1H3,(H,24,29)(H,27,31)(H,25,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270304 (CHEMBL4077071) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1 Show InChI InChI=1S/C22H25N9O/c1-30-8-10-31(11-9-30)13-15-2-4-16(5-3-15)27-22(32)19-18(12-26-29-19)28-21-17-6-7-23-20(17)24-14-25-21/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)(H,27,32)(H2,23,24,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270309 (CHEMBL4101635) Show SMILES CN1CCCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C23H26N8OS/c1-30-8-2-9-31(11-10-30)14-16-3-5-17(6-4-16)27-22(32)20-19(13-26-29-20)28-21-18-7-12-33-23(18)25-15-24-21/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,26,29)(H,27,32)(H,24,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50513250 (CHEMBL4475689) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(n[nH]2)-c2cccs2)cc1 Show InChI InChI=1S/C18H21N5S/c1-22-8-10-23(11-9-22)15-6-4-14(5-7-15)19-18-13-16(20-21-18)17-3-2-12-24-17/h2-7,12-13H,8-11H2,1H3,(H2,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.327	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 ITD mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay				Eur J Med Chem 176: 248-267 (2019) Article DOI: 10.1016/j.ejmech.2019.05.021 BindingDB Entry DOI: 10.7270/Q2FR00ZS
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270316 (CHEMBL4104057) Show SMILES O=C(Nc1ccc(CN2CCNCC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12 Show InChI InChI=1S/C21H22N8OS/c30-20(26-15-3-1-14(2-4-15)12-29-8-6-22-7-9-29)18-17(11-25-28-18)27-19-16-5-10-31-21(16)24-13-23-19/h1-5,10-11,13,22H,6-9,12H2,(H,25,28)(H,26,30)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270329 (CHEMBL4073053) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sc(C)cc34)cc2)CC1 Show InChI InChI=1S/C23H26N8OS/c1-15-11-18-21(24-14-25-23(18)33-15)28-19-12-26-29-20(19)22(32)27-17-5-3-16(4-6-17)13-31-9-7-30(2)8-10-31/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,26,29)(H,27,32)(H,24,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.384	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.438	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449554 (CHEMBL4172223) Show SMILES Clc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)c2ccsc2n1 Show InChI InChI=1S/C20H19ClN8OS/c21-20-26-17(14-5-10-31-19(14)27-20)25-15-11-23-28-16(15)18(30)24-12-1-3-13(4-2-12)29-8-6-22-7-9-29/h1-5,10-11,22H,6-9H2,(H,23,28)(H,24,30)(H,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270303 (CHEMBL4061686) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4ccsc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-22(31)19-18(12-25-28-19)27-21-20-17(6-11-32-20)23-14-24-21/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 D835Y mutant by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270319 (CHEMBL4093755) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sc(C)c(C)c34)cc2)CC1 Show InChI InChI=1S/C24H28N8OS/c1-15-16(2)34-24-20(15)22(25-14-26-24)29-19-12-27-30-21(19)23(33)28-18-6-4-17(5-7-18)13-32-10-8-31(3)9-11-32/h4-7,12,14H,8-11,13H2,1-3H3,(H,27,30)(H,28,33)(H,25,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.576	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270335 (CHEMBL4088753) Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1ncnc2ccccc12 Show InChI InChI=1S/C23H23N7O2/c31-23(27-17-7-5-16(6-8-17)14-30-9-11-32-12-10-30)21-20(13-26-29-21)28-22-18-3-1-2-4-19(18)24-15-25-22/h1-8,13,15H,9-12,14H2,(H,26,29)(H,27,31)(H,24,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.588	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filt...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50449553 (CHEMBL4164331) Show SMILES Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(cc2)N2CCNCC2)c2ccsc2n1 Show InChI InChI=1S/C21H22N8OS/c1-13-24-19(16-6-11-31-21(16)25-13)27-17-12-23-28-18(17)20(30)26-14-2-4-15(5-3-14)29-9-7-22-8-10-29/h2-6,11-12,22H,7-10H2,1H3,(H,23,28)(H,26,30)(H,24,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human FLT3 by Hotspot assay				Eur J Med Chem 155: 303-315 (2018) Article DOI: 10.1016/j.ejmech.2018.06.010 BindingDB Entry DOI: 10.7270/Q2668GSP
					More data for this Ligand-Target Pair

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