Compile Data Set for Download or QSAR

Found 302 hits with Last Name = 'miyake' and Initial = 'h'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204291 (CHEMBL3953104 | US20230295171, Example 76) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3CNC(=O)c23)c1 |r| Show InChI InChI=1S/C21H24N6O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-21(18)28)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,16-17H,2-3,7-8,11,23H2,1H3,(H,24,28)(H2,25,26,27)/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204296 (CHEMBL3941633 | US20230295171, Example 75) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(Cl)c3CNC(=O)c23)c1 |r| Show InChI InChI=1S/C20H24ClN5O/c1-11-5-4-6-12(9-11)24-18-16-13(10-23-20(16)27)17(21)19(26-18)25-15-8-3-2-7-14(15)22/h4-6,9,14-15H,2-3,7-8,10,22H2,1H3,(H,23,27)(H2,24,25,26)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM620222 (BDBM50204292 | US20230295171, Example 82) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(-c3cn[nH]c3)c3CNC(=O)c23)c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204293 (CHEMBL3983415 | US20230295171, Example 25) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3CNC(=O)c23)c1 |r| Show InChI InChI=1S/C20H24FN5O/c1-11-5-4-6-12(9-11)24-18-16-13(10-23-20(16)27)17(21)19(26-18)25-15-8-3-2-7-14(15)22/h4-6,9,14-15H,2-3,7-8,10,22H2,1H3,(H,23,27)(H2,24,25,26)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030174 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2OCCOc2c1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C34H36N4O6/c1-36-21-26(25-10-6-7-11-28(25)36)33(41)38-20-24(39)18-29(38)32(40)35-27(34(42)37(2)19-22-8-4-3-5-9-22)16-23-12-13-30-31(17-23)44-15-14-43-30/h3-13,17,21,24,27,29,39H,14-16,18-20H2,1-2H3,(H,35,40)/t24-,27-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030199 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C34H35N5O4/c1-37-21-27(26-13-7-9-15-30(26)37)33(42)39-20-24(40)17-31(39)32(41)36-29(16-23-18-35-28-14-8-6-12-25(23)28)34(43)38(2)19-22-10-4-3-5-11-22/h3-15,18,21,24,29,31,35,40H,16-17,19-20H2,1-2H3,(H,36,41)/t24-,29-,31?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030178 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C36H36N4O4/c1-38-23-30(29-14-8-9-15-32(29)38)35(43)40-22-28(41)20-33(40)34(42)37-31(36(44)39(2)21-24-10-4-3-5-11-24)19-25-16-17-26-12-6-7-13-27(26)18-25/h3-18,23,28,31,33,41H,19-22H2,1-2H3,(H,37,42)/t28-,31-,33?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030204 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C32H34N4O5/c1-34-20-26(25-10-6-7-11-28(25)34)31(40)36-19-24(38)17-29(36)30(39)33-27(16-21-12-14-23(37)15-13-21)32(41)35(2)18-22-8-4-3-5-9-22/h3-15,20,24,27,29,37-38H,16-19H2,1-2H3,(H,33,39)/t24-,27-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204290 (CHEMBL3979920 | US11077111, Compound IIIa | US2023...) Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r| Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal GST-tagged SYK cytoplasmic domain expressed in baculovirus expression system by Z'-LYTE assay				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204295 (CHEMBL3944381) Show SMILES N[C@H]1CCCC[C@H]1Nc1nc(-c2cnn3ccccc23)c2C(=O)NCc2c1C#N |r| Show InChI InChI=1S/C21H21N7O/c22-9-12-13-10-24-21(29)18(13)19(14-11-25-28-8-4-3-7-17(14)28)27-20(12)26-16-6-2-1-5-15(16)23/h3-4,7-8,11,15-16H,1-2,5-6,10,23H2,(H,24,29)(H,26,27)/t15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27707 (4-{1-[3-(8-chloro-4-oxo-3,4-dihydroquinazolin-2-yl...) Show SMILES Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(cc1)C#N)[nH]c2=O |c:16| Show InChI InChI=1S/C23H21ClN4O/c24-20-4-1-3-19-22(20)26-21(27-23(19)29)5-2-12-28-13-10-18(11-14-28)17-8-6-16(15-25)7-9-17/h1,3-4,6-10H,2,5,11-14H2,(H,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204288 (CHEMBL3925430 | US20230295171, Example 88) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C)c3CNC(=O)c23)c1 |r| Show InChI InChI=1S/C21H27N5O/c1-12-6-5-7-14(10-12)24-20-18-15(11-23-21(18)27)13(2)19(26-20)25-17-9-4-3-8-16(17)22/h5-7,10,16-17H,3-4,8-9,11,22H2,1-2H3,(H,23,27)(H2,24,25,26)/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204290 (CHEMBL3979920 | US11077111, Compound IIIa | US2023...) Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r| Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (GUINEA PIG)	BDBM50030181 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C33H33F3N4O4/c1-38-20-26(25-13-6-7-14-28(25)38)31(43)40-19-24(41)17-29(40)30(42)37-27(16-22-11-8-12-23(15-22)33(34,35)36)32(44)39(2)18-21-9-4-3-5-10-21/h3-15,20,24,27,29,41H,16-19H2,1-2H3,(H,37,42)/t24-,27-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030210 ((R)-1-[1-(2-Dimethylamino-ethyl)-1H-indole-3-carbo...) Show SMILES CN(C)CCn1cc(C(=O)N2C[C@H](O)CC2C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C35H41N5O4/c1-37(2)18-19-39-24-29(28-16-10-11-17-31(28)39)34(43)40-23-27(41)21-32(40)33(42)36-30(20-25-12-6-4-7-13-25)35(44)38(3)22-26-14-8-5-9-15-26/h4-17,24,27,30,32,41H,18-23H2,1-3H3,(H,36,42)/t27-,30-,32?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030182 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C35H35N5O5/c1-37-21-28(27-13-7-8-14-30(27)37)34(44)40-20-25(42)17-32(40)33(43)36-29(35(45)38(2)18-23-10-4-3-5-11-23)16-24-19-39(22-41)31-15-9-6-12-26(24)31/h3-15,19,21-22,25,29,32,42H,16-18,20H2,1-2H3,(H,36,43)/t25-,29-,32?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030188 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C32H33FN4O4/c1-35-20-26(25-10-6-7-11-28(25)35)31(40)37-19-24(38)17-29(37)30(39)34-27(16-21-12-14-23(33)15-13-21)32(41)36(2)18-22-8-4-3-5-9-22/h3-15,20,24,27,29,38H,16-19H2,1-2H3,(H,34,39)/t24-,27-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50204290 (CHEMBL3979920 | US11077111, Compound IIIa | US2023...) Show SMILES Cn1cc(cn1)-c1nc(N[C@@H]2CCCC[C@@H]2N)c(F)c2CNC(=O)c12 |r| Show InChI InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal 6His-tagged FLT3 (564 to 993 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-KKKKEEIYFFFG-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50407171 (CHEMBL2114031) Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N4O4/c1-34(19-22-12-6-3-7-13-22)31(39)27(16-21-10-4-2-5-11-21)33-29(37)28-17-23(36)20-35(28)30(38)25-18-32-26-15-9-8-14-24(25)26/h2-15,18,23,27-28,32,36H,16-17,19-20H2,1H3,(H,33,37)/t23-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50204289 (CHEMBL3892927 | US20230295171, Example 13) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)cc3CNC(=O)c23)c1 |r| Show InChI InChI=1S/C20H25N5O/c1-12-5-4-6-14(9-12)23-19-18-13(11-22-20(18)26)10-17(25-19)24-16-8-3-2-7-15(16)21/h4-6,9-10,15-16H,2-3,7-8,11,21H2,1H3,(H,22,26)(H2,23,24,25)/t15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California, Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 ...				Bioorg Med Chem Lett 26: 5947-5950 (2016) Article DOI: 10.1016/j.bmcl.2016.10.087 BindingDB Entry DOI: 10.7270/Q29888Z2
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030179 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C33H33F3N4O4/c1-38-20-26(25-10-6-7-11-28(25)38)31(43)40-19-24(41)17-29(40)30(42)37-27(16-21-12-14-23(15-13-21)33(34,35)36)32(44)39(2)18-22-8-4-3-5-9-22/h3-15,20,24,27,29,41H,16-19H2,1-2H3,(H,37,42)/t24-,27-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030180 ((R)-4-Hydroxy-1-(1H-indazole-3-carbonyl)-pyrrolidi...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1[nH]nc2ccccc12 Show InChI InChI=1S/C30H31N5O4/c1-34(18-21-12-6-3-7-13-21)29(38)25(16-20-10-4-2-5-11-20)31-28(37)26-17-22(36)19-35(26)30(39)27-23-14-8-9-15-24(23)32-33-27/h2-15,22,25-26,36H,16-19H2,1H3,(H,31,37)(H,32,33)/t22-,25-,26?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM50435711 (CHEMBL2392121) Show SMILES CC(=O)Nc1nc(CCc2ccc(Cc3cnc(N)[nH]3)cc2)cs1 Show InChI InChI=1S/C17H19N5OS/c1-11(23)20-17-22-14(10-24-17)7-6-12-2-4-13(5-3-12)8-15-9-19-16(18)21-15/h2-5,9-10H,6-8H2,1H3,(H3,18,19,21)(H,20,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...				Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030177 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C32H35N5O4/c1-35-20-26(25-10-6-7-11-28(25)35)31(40)37-19-24(38)17-29(37)30(39)34-27(16-21-12-14-23(33)15-13-21)32(41)36(2)18-22-8-4-3-5-9-22/h3-15,20,24,27,29,38H,16-19,33H2,1-2H3,(H,34,39)/t24-,27-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030203 (1-(1H-Indole-3-carbonyl)-pyrrolidine-2-carboxylic ...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCN1C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N4O3/c1-34(21-23-13-6-3-7-14-23)31(38)27(19-22-11-4-2-5-12-22)33-29(36)28-17-10-18-35(28)30(37)25-20-32-26-16-9-8-15-24(25)26/h2-9,11-16,20,27-28,32H,10,17-19,21H2,1H3,(H,33,36)/t27-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151035 (4-{1-[3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propyl...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)C#N)nc2ccccc12 |c:10| Show InChI InChI=1S/C23H22N4O/c24-16-17-7-9-18(10-8-17)19-11-14-27(15-12-19)13-3-6-22-25-21-5-2-1-4-20(21)23(28)26-22/h1-2,4-5,7-11H,3,6,12-15H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030197 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C32H34N4O4/c1-34-21-26(25-15-9-10-16-28(25)34)31(39)36-20-24(37)18-29(36)30(38)33-27(17-22-11-5-3-6-12-22)32(40)35(2)19-23-13-7-4-8-14-23/h3-16,21,24,27,29,37H,17-20H2,1-2H3,(H,33,38)/t24-,27-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030185 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C32H33N5O6/c1-34-20-26(25-10-6-7-11-28(25)34)31(40)36-19-24(38)17-29(36)30(39)33-27(16-21-12-14-23(15-13-21)37(42)43)32(41)35(2)18-22-8-4-3-5-9-22/h3-15,20,24,27,29,38H,16-19H2,1-2H3,(H,33,39)/t24-,27-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27720 (3-(4-chlorophenyl)quinoxaline-5-carboxamide | quin...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50407172 (CHEMBL2115107) Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N4O4/c1-34(19-22-12-6-3-7-13-22)31(39)27(16-21-10-4-2-5-11-21)33-29(37)28-17-23(36)20-35(28)30(38)25-18-32-26-15-9-8-14-24(25)26/h2-15,18,23,27-28,32,36H,16-17,19-20H2,1H3,(H,33,37)/t23-,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030192 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES COc1ccc(C[C@@H](NC(=O)C2C[C@@H](O)CN2C(=O)c2cn(C)c3ccccc23)C(=O)N(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C33H36N4O5/c1-35-21-27(26-11-7-8-12-29(26)35)32(40)37-20-24(38)18-30(37)31(39)34-28(17-22-13-15-25(42-3)16-14-22)33(41)36(2)19-23-9-5-4-6-10-23/h4-16,21,24,28,30,38H,17-20H2,1-3H3,(H,34,39)/t24-,28-,30?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27721 (3-(4-cyanophenyl)quinoxaline-5-carboxamide | CHEMB...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H10N4O/c17-8-10-4-6-11(7-5-10)14-9-19-13-3-1-2-12(16(18)21)15(13)20-14/h1-7,9H,(H2,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27723 (3-(4-methoxyphenyl)quinoxaline-5-carboxamide | CHE...) Show SMILES COc1ccc(cc1)-c1cnc2cccc(C(N)=O)c2n1 Show InChI InChI=1S/C16H13N3O2/c1-21-11-7-5-10(6-8-11)14-9-18-13-4-2-3-12(16(17)20)15(13)19-14/h2-9H,1H3,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030189 (1-(1H-Indole-3-carbonyl)-azetidine-2-carboxylic ac...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN1C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C30H30N4O3/c1-33(20-22-12-6-3-7-13-22)30(37)26(18-21-10-4-2-5-11-21)32-28(35)27-16-17-34(27)29(36)24-19-31-25-15-9-8-14-23(24)25/h2-15,19,26-27,31H,16-18,20H2,1H3,(H,32,35)/t26-,27?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151016 (2-{3-[4-(4-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-...) Show SMILES COc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:9| Show InChI InChI=1S/C23H25N3O2/c1-28-19-10-8-17(9-11-19)18-12-15-26(16-13-18)14-4-7-22-24-21-6-3-2-5-20(21)23(27)25-22/h2-3,5-6,8-12H,4,7,13-16H2,1H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50220864 (2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-...) Show SMILES Fc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H22FN3O/c23-18-9-7-16(8-10-18)17-11-14-26(15-12-17)13-3-6-21-24-20-5-2-1-4-19(20)22(27)25-21/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50380088 (CHEMBL2012893) Show SMILES Cn1c(Nc2ccc(I)cc2F)c(C(=O)NOCCO)c2CCC(=O)c12 Show InChI InChI=1S/C17H17FIN3O4/c1-22-15-10(3-5-13(15)24)14(17(25)21-26-7-6-23)16(22)20-12-4-2-9(19)8-11(12)18/h2,4,8,20,23H,3,5-7H2,1H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation using IPTTPITTYFFFK-5FAM-COOH as substrate by fluorescent polarization assay				Bioorg Med Chem Lett 22: 2411-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.026 BindingDB Entry DOI: 10.7270/Q2BR8T5H
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030176 (CHEMBL65703 | N*1*-[(R)-1-(Benzyl-methyl-carbamoyl...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C30H31N5O4/c1-35(19-21-12-6-3-7-13-21)30(39)26(16-20-10-4-2-5-11-20)34-29(38)25(17-27(31)36)33-28(37)23-18-32-24-15-9-8-14-22(23)24/h2-15,18,25-26,32H,16-17,19H2,1H3,(H2,31,36)(H,33,37)(H,34,38)/t25?,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27724 (3-(4-aminophenyl)quinoxaline-5-carboxamide | CHEMB...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(N)cc1 Show InChI InChI=1S/C15H12N4O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,16H2,(H2,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030187 ((R)-4-Hydroxy-1-[(E)-(3-phenyl-acryloyl)]-pyrrolid...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1C[C@@H](O)CN1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C31H33N3O4/c1-33(21-25-15-9-4-10-16-25)31(38)27(19-24-13-7-3-8-14-24)32-30(37)28-20-26(35)22-34(28)29(36)18-17-23-11-5-2-6-12-23/h2-18,26-28,35H,19-22H2,1H3,(H,32,37)/b18-17+/t26-,27-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030205 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1cccc(F)c1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C32H33FN4O4/c1-35-20-26(25-13-6-7-14-28(25)35)31(40)37-19-24(38)17-29(37)30(39)34-27(16-22-11-8-12-23(33)15-22)32(41)36(2)18-21-9-4-3-5-10-21/h3-15,20,24,27,29,38H,16-19H2,1-2H3,(H,34,39)/t24-,27-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030191 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C34H34N4O4S/c1-36-20-27(26-13-6-8-14-29(26)36)33(41)38-19-24(39)17-30(38)32(40)35-28(16-23-21-43-31-15-9-7-12-25(23)31)34(42)37(2)18-22-10-4-3-5-11-22/h3-15,20-21,24,28,30,39H,16-19H2,1-2H3,(H,35,40)/t24-,28-,30?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27711 (2-{3-[4-(4-chlorophenyl)piperazin-1-yl]propyl}-3,4...) Show SMILES Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C21H23ClN4O/c22-16-7-9-17(10-8-16)26-14-12-25(13-15-26)11-3-6-20-23-19-5-2-1-4-18(19)21(27)24-20/h1-2,4-5,7-10H,3,6,11-15H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	23
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Mus musculus (Mouse))	BDBM27722 (3-[4-(trifluoromethyl)phenyl]quinoxaline-5-carboxa...) Show SMILES NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H10F3N3O/c17-16(18,19)10-6-4-9(5-7-10)13-8-21-12-3-1-2-11(15(20)23)14(12)22-13/h1-8H,(H2,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Fujisawa Pharmaceutical Co. Ltd					Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...				Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030190 (1H-Indole-3-carboxylic acid {1-[(R)-1-(benzyl-meth...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(CO)NC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H30N4O4/c1-33(18-21-12-6-3-7-13-21)29(37)25(16-20-10-4-2-5-11-20)31-28(36)26(19-34)32-27(35)23-17-30-24-15-9-8-14-22(23)24/h2-15,17,25-26,30,34H,16,18-19H2,1H3,(H,31,36)(H,32,35)/t25-,26?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50380087 (CHEMBL2012894) Show SMILES Cn1c(Nc2ccc(I)cc2F)c(C(=O)NOC[C@@H](O)CO)c2CCC(=O)c12 |r| Show InChI InChI=1S/C18H19FIN3O5/c1-23-16-11(3-5-14(16)26)15(18(27)22-28-8-10(25)7-24)17(23)21-13-4-2-9(20)6-12(13)19/h2,4,6,10,21,24-25H,3,5,7-8H2,1H3,(H,22,27)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation using IPTTPITTYFFFK-5FAM-COOH as substrate by fluorescent polarization assay				Bioorg Med Chem Lett 22: 2411-4 (2012) Article DOI: 10.1016/j.bmcl.2012.02.026 BindingDB Entry DOI: 10.7270/Q2BR8T5H
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50030194 ((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2CCCCc2c1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 Show InChI InChI=1S/C36H40N4O4/c1-38-23-30(29-14-8-9-15-32(29)38)35(43)40-22-28(41)20-33(40)34(42)37-31(36(44)39(2)21-24-10-4-3-5-11-24)19-25-16-17-26-12-6-7-13-27(26)18-25/h3-5,8-11,14-18,23,28,31,33,41H,6-7,12-13,19-22H2,1-2H3,(H,37,42)/t28-,31-,33?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane				J Med Chem 37: 2090-9 (1994) BindingDB Entry DOI: 10.7270/Q23779BT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151012 (2-{3-[4-(4-Hydroxy-phenyl)-3,6-dihydro-2H-pyridin-...) Show SMILES Oc1ccc(cc1)C1=CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C22H23N3O2/c26-18-9-7-16(8-10-18)17-11-14-25(15-12-17)13-3-6-21-23-20-5-2-1-4-19(20)22(27)24-21/h1-2,4-5,7-11,26H,3,6,12-15H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151025 (2-[3-(1,4,5,6-Tetrahydro-2H-benzo[f]isoquinolin-3-...) Show SMILES O=c1[nH]c(CCCN2CCC3=C(CCc4ccccc34)C2)nc2ccccc12 |t:10| Show InChI InChI=1S/C24H25N3O/c28-24-21-8-3-4-9-22(21)25-23(26-24)10-5-14-27-15-13-20-18(16-27)12-11-17-6-1-2-7-19(17)20/h1-4,6-9H,5,10-16H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50151013 (2-{3-[4-(4-Pyridin-1-yl-phenyl)-3,6-dihydro-2H-pyr...) Show SMILES O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)-[n+]2ccccc2)nc2ccccc12 |c:10| Show InChI InChI=1S/C27H26N4O/c32-27-24-7-2-3-8-25(24)28-26(29-27)9-6-16-30-19-14-22(15-20-30)21-10-12-23(13-11-21)31-17-4-1-5-18-31/h1-5,7-8,10-14,17-18H,6,9,15-16,19-20H2/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1				J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6
					More data for this Ligand-Target Pair

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