Compile Data Set for Download or QSAR

Found 273 hits with Last Name = 'jin' and Initial = 'p'   

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)	BDBM535166 (WO2022013684, Example 18) Show SMILES CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	1.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509922 (CHEMBL4575319) Show SMILES [H][C@@]12CCC[C@]1([H])CN(CCCOc1ccc(cc1)C(N)=O)C2 |r| Show InChI InChI=1S/C17H24N2O2/c18-17(20)13-5-7-16(8-6-13)21-10-2-9-19-11-14-3-1-4-15(14)12-19/h5-8,14-15H,1-4,9-12H2,(H2,18,20)/t14-,15+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535159 (WO2022013684, Example 14) Show SMILES CC(C)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	6.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535160 (WO2022013684, Example 15) Show SMILES CCC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	6.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509934 (CHEMBL4557586) Show SMILES CN1CCc2ccc(OCCCN3CCOCC3)cc2C1=O Show InChI InChI=1S/C17H24N2O3/c1-18-7-5-14-3-4-15(13-16(14)17(18)20)22-10-2-6-19-8-11-21-12-9-19/h3-4,13H,2,5-12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535126 ((1R,2S,5S)-6,6-Dimethyl-3-[N-(methylsulfonyl)-L-va...) Show SMILES CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3c(cccc3s1)C(F)(F)F)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	7.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535168 (WO2022013684, Example 19) Show SMILES CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	9.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535164 (WO2022013684, Example 16) Show SMILES CCS(=O)(=O)N[C@@H](C(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535123 ((1R,2S,5S)-N-{(2S)-1-(1,3-Benzothiazol-2-yl)-1-oxo...) Show SMILES CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535143 (WO2022013684, Example 11) Show SMILES CC(C)(C)[C@H](NS(=O)(=O)C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535129 ((1R,2S,5S)-N-{(2S)-1-(1,3-Benzothiazol-2-yl)-1-oxo...) Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	WIPO WO2022013684	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535075 ((6S)-N-{(2S)-1-(1,3-Benzothiazol-2-yl)-1-oxo-3-[(3...) Show SMILES CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535141 (WO2022013684, Example 10) Show SMILES CC(C)[C@H](NS(=O)(=O)C1CC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509933 (CHEMBL4475658) Show SMILES CN1CCc2ccc(OCCCN3CCCCC3)cc2C1=O Show InChI InChI=1S/C18H26N2O2/c1-19-12-8-15-6-7-16(14-17(15)18(19)21)22-13-5-11-20-9-3-2-4-10-20/h6-7,14H,2-5,8-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509924 (CHEMBL4532574) Show SMILES CC1CCCN1CCCOc1ccc2CCN(C)C(=O)c2c1 Show InChI InChI=1S/C18H26N2O2/c1-14-5-3-9-20(14)10-4-12-22-16-7-6-15-8-11-19(2)18(21)17(15)13-16/h6-7,13-14H,3-5,8-12H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509932 (CHEMBL4526723) Show SMILES CC1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1 Show InChI InChI=1S/C19H28N2O2/c1-15-6-11-21(12-7-15)9-3-13-23-17-5-4-16-8-10-20(2)19(22)18(16)14-17/h4-5,14-15H,3,6-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535145 (WO2022013684, Example 12) Show SMILES CC(C)[C@H](NS(=O)(=O)C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509928 (CHEMBL4583183) Show SMILES CN1CCc2ccc(OCCCN3CCC(O)CC3)cc2C1=O Show InChI InChI=1S/C18H26N2O3/c1-19-9-5-14-3-4-16(13-17(14)18(19)22)23-12-2-8-20-10-6-15(21)7-11-20/h3-4,13,15,21H,2,5-12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509923 (CHEMBL4456092) Show SMILES CN1CCc2ccc(OCCCN3CCCC3)cc2C1=O Show InChI InChI=1S/C17H24N2O2/c1-18-11-7-14-5-6-15(13-16(14)17(18)20)21-12-4-10-19-8-2-3-9-19/h5-6,13H,2-4,7-12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50509924 (CHEMBL4532574) Show SMILES CC1CCCN1CCCOc1ccc2CCN(C)C(=O)c2c1 Show InChI InChI=1S/C18H26N2O2/c1-14-5-3-9-20(14)10-4-12-22-16-7-6-15-8-11-19(2)18(21)17(15)13-16/h6-7,13-14H,3-5,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortex homogenates incubated for 60 mins by Cheng and Prusoff...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535165 (WO2022013684, Example 17) Show SMILES CC(C)(C)[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509929 (CHEMBL4570965) Show SMILES CN1CCc2ccc(OCCCN3CCC(O)C3)cc2C1=O Show InChI InChI=1S/C17H24N2O3/c1-18-8-5-13-3-4-15(11-16(13)17(18)21)22-10-2-7-19-9-6-14(20)12-19/h3-4,11,14,20H,2,5-10,12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535130 (WO2022013684, Example 6 | tert-Butyl {(2S)-1-[(1R,...) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535146 (WO2022013684, Example 13) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509936 (CHEMBL4461154) Show SMILES CC1CCCCN1CCCOc1ccc2CCN(C)C(=O)c2c1 Show InChI InChI=1S/C19H28N2O2/c1-15-6-3-4-10-21(15)11-5-13-23-17-8-7-16-9-12-20(2)19(22)18(16)14-17/h7-8,14-15H,3-6,9-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50509923 (CHEMBL4456092) Show SMILES CN1CCc2ccc(OCCCN3CCCC3)cc2C1=O Show InChI InChI=1S/C17H24N2O2/c1-18-11-7-14-5-6-15(13-16(14)17(18)20)21-12-4-10-19-8-2-3-9-19/h5-6,13H,2-4,7-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortex homogenates incubated for 60 mins by Cheng and Prusoff...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509921 (CHEMBL4474007) Show SMILES CN1CCc2ccc(OCCCN3CCC(=O)CC3)cc2C1=O Show InChI InChI=1S/C18H24N2O3/c1-19-9-5-14-3-4-16(13-17(14)18(19)22)23-12-2-8-20-10-6-15(21)7-11-20/h3-4,13H,2,5-12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50509933 (CHEMBL4475658) Show SMILES CN1CCc2ccc(OCCCN3CCCCC3)cc2C1=O Show InChI InChI=1S/C18H26N2O2/c1-19-12-8-15-6-7-16(14-17(15)18(19)21)22-13-5-11-20-9-3-2-4-10-20/h6-7,14H,2-5,8-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortex homogenates incubated for 60 mins by Cheng and Prusoff...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535122 ((1R,2S,5S)-N-{(2S)-1-(1,3-Benzothiazol-2-yl)-1-oxo...) Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1)C(=O)c1cc2ccccc2[nH]1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	206	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509925 (CHEMBL4442619) Show SMILES CCN1CCc2ccc(OCCCN3CCOCC3)cc2C1=O Show InChI InChI=1S/C18H26N2O3/c1-2-20-8-6-15-4-5-16(14-17(15)18(20)21)23-11-3-7-19-9-12-22-13-10-19/h4-5,14H,2-3,6-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50509932 (CHEMBL4526723) Show SMILES CC1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1 Show InChI InChI=1S/C19H28N2O2/c1-15-6-11-21(12-7-15)9-3-13-23-17-5-4-16-8-10-20(2)19(22)18(16)14-17/h4-5,14-15H,3,6-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	279	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortex homogenates incubated for 60 mins by Cheng and Prusoff...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50509922 (CHEMBL4575319) Show SMILES [H][C@@]12CCC[C@]1([H])CN(CCCOc1ccc(cc1)C(N)=O)C2 |r| Show InChI InChI=1S/C17H24N2O2/c18-17(20)13-5-7-16(8-6-13)21-10-2-9-19-11-14-3-1-4-15(14)12-19/h5-8,14-15H,1-4,9-12H2,(H2,18,20)/t14-,15+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	426	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortex homogenates incubated for 60 mins by Cheng and Prusoff...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509930 (CHEMBL4459304) Show SMILES CCN(CC)CCCOc1ccc2CCN(C)C(=O)c2c1 Show InChI InChI=1S/C17H26N2O2/c1-4-19(5-2)10-6-12-21-15-8-7-14-9-11-18(3)17(20)16(14)13-15/h7-8,13H,4-6,9-12H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	542	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509931 (CHEMBL4583068) Show SMILES CN1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1 Show InChI InChI=1S/C18H27N3O2/c1-19-9-11-21(12-10-19)7-3-13-23-16-5-4-15-6-8-20(2)18(22)17(15)14-16/h4-5,14H,3,6-13H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	706	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509927 (CHEMBL4563108) Show SMILES CN1CCc2ccc(OCCCCN3CCOCC3)cc2C1=O Show InChI InChI=1S/C18H26N2O3/c1-19-8-6-15-4-5-16(14-17(15)18(19)21)23-11-3-2-7-20-9-12-22-13-10-20/h4-5,14H,2-3,6-13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	856	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50509928 (CHEMBL4583183) Show SMILES CN1CCc2ccc(OCCCN3CCC(O)CC3)cc2C1=O Show InChI InChI=1S/C18H26N2O3/c1-19-9-5-14-3-4-16(13-17(14)18(19)22)23-12-2-8-20-10-6-15(21)7-11-20/h3-4,13,15,21H,2,5-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	908	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortex homogenates incubated for 60 mins by Cheng and Prusoff...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50509934 (CHEMBL4557586) Show SMILES CN1CCc2ccc(OCCCN3CCOCC3)cc2C1=O Show InChI InChI=1S/C17H24N2O3/c1-18-7-5-14-3-4-15(13-16(14)17(18)20)22-10-2-6-19-8-11-21-12-9-19/h3-4,13H,2,5-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortex homogenates incubated for 60 mins by Cheng and Prusoff...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509937 (CHEMBL4525456) Show SMILES CCN1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1 Show InChI InChI=1S/C19H29N3O2/c1-3-21-10-12-22(13-11-21)8-4-14-24-17-6-5-16-7-9-20(2)19(23)18(16)15-17/h5-6,15H,3-4,7-14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509935 (CHEMBL4576048) Show SMILES CN1CCc2ccc(OCCN3CCOCC3)cc2C1=O Show InChI InChI=1S/C16H22N2O3/c1-17-5-4-13-2-3-14(12-15(13)16(17)19)21-11-8-18-6-9-20-10-7-18/h2-3,12H,4-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50509926 (CHEMBL4437732) Show SMILES CN1CCc2ccc(OCC(O)CN3CCOCC3)cc2C1=O Show InChI InChI=1S/C17H24N2O4/c1-18-5-4-13-2-3-15(10-16(13)17(18)21)23-12-14(20)11-19-6-8-22-9-7-19/h2-3,10,14,20H,4-9,11-12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Marine Resources Development Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...				Bioorg Med Chem Lett 29: 1492-1496 (2019) Article DOI: 10.1016/j.bmcl.2019.04.015 BindingDB Entry DOI: 10.7270/Q21R6TTG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535131 (WO2022013684, Example 8) Show SMILES CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3cccc(c3s1)C(F)(F)F)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	6.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535140 (WO2022013684, Example 9) Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1)C(=O)[C@@H]1CCCO1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM535170 (WO2022013684, Example 20) Show SMILES CC1(C)C[C@H](N(C1)C(=O)[C@H]1CCCO1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022013684	>1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD43SW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20K2CRN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM50021656 (BARICITINIB | INCB-028050 | LY-3009104 | US1011290...) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM294911 (US10112907, Example 00020 | US10766894, Compound T...) Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...				US Patent US10112907 (2018) BindingDB Entry DOI: 10.7270/Q2FX7CHW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50021656 (BARICITINIB | INCB-028050 | LY-3009104 | US1011290...) Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020) BindingDB Entry DOI: 10.7270/Q2TX3JDH
					More data for this Ligand-Target Pair

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