Compile Data Set for Download or QSAR

Found 10570 hits with Last Name = 'hou' and Initial = 'd'   

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
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293089 (2-Amino-7-{[(1,3-dihydroxypropan-2-yl)amino]methyl...) Show SMILES Nc1nc2c(CNC(CO)CO)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C10H15N5O3/c11-10-14-7-5(1-12-6(3-16)4-17)2-13-8(7)9(18)15-10/h2,6,12-13,16-17H,1,3-4H2,(H3,11,14,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay				J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293090 (2-Amino-7-({[(2R,3S)-1,3,4-trihydroxybutan-2-yl]am...) Show SMILES Nc1nc2c(CN[C@H](CO)[C@H](O)CO)c[nH]c2c(=O)[nH]1 |r| Show InChI InChI=1S/C11H17N5O4/c12-11-15-8-5(2-14-9(8)10(20)16-11)1-13-6(3-17)7(19)4-18/h2,6-7,13-14,17-19H,1,3-4H2,(H3,12,15,16,20)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay				J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50246593 (7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...) Show SMILES OCC(CO)NCc1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay				J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293087 (2-amino-7-(((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyr...) Show SMILES Nc1nc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c2c(=O)[nH]1 |r| Show InChI InChI=1S/C12H17N5O3/c13-12-15-9-6(1-14-10(9)11(20)16-12)2-17-3-7(5-18)8(19)4-17/h1,7-8,14,18-19H,2-5H2,(H3,13,15,16,20)/t7-,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay				J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293091 (7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL...) Show SMILES OC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay				J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM22109 (7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...) Show SMILES OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay				J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50109062 (3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...) Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5OCCOc45)CC3)c2c1 Show InChI InChI=1S/C24H27FN2O3/c25-19-4-5-21-20(15-19)18(16-26-21)14-17-6-8-27(9-7-17)10-11-28-22-2-1-3-23-24(22)30-13-12-29-23/h1-5,15-17,26H,6-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description Affinity of the compound for RB Serotonin transporter was determined in vitro by incubating compound				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50109058 (1H-4-indolyl 2-[4-(1H-3-indolyl)-1,2,3,6-tetrahydr...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:5| Show InChI InChI=1S/C23H23N3O/c1-2-5-21-18(4-1)20(16-25-21)17-9-12-26(13-10-17)14-15-27-23-7-3-6-22-19(23)8-11-24-22/h1-9,11,16,24-25H,10,12-15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description Affinity of the compound for RB Serotonin transporter was determined in vitro by incubating compound				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519706 (US11142525, Example 107) Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N2CCC[C@H]2C)C1=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293086 ((1S)-1,4-dideoxy-1,4-imino-1-(9-deazaguanin-9-yl)-...) Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay				J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606126 (4-[(1R)-1- aminopropyl]- 6-(dimethyl- amino)-2-{6-...) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](C)n12)N(C)C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606125 (4-[(1$#958;)-1- aminoethyl]-2- {6-[(5$#958;)-5- me...) Show SMILES C[C@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@@H](C)n12)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606205 (2-{6-[(5S,7S)- 5,7-dimethyl-6,7- dihydro-5H- pyrro...) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2[C@@H](C)C[C@H](C)n12)N(C)C(C)C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519601 (US11142525, Example 17) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nncn1[C@@H](C)CC(F)(F)F)N(C)C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519602 (US11142525, Example 18) Show SMILES CC[C@@H](CC(F)(F)F)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N(C)C)C1=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519590 (US11142525, Example 6 | US11142525, Example 79) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nncn1C(C)C)N(C)C(C)C Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519699 (US11142525, Example 100) Show SMILES CC(C)N(C)c1cc2C(=O)N(Cc2c(CN)n1)c1cccc(n1)N1[C@@H](C)COC1=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606115 (4-(2- aminopropan- 2-yl)-2-{6- [(5S)-5-methyl- 6,7...) Show SMILES C[C@@H]1CCCN1c1cc2C(=O)N(Cc2c(n1)C(C)(C)N)c1cccc(n1)-c1nnc2CC[C@H](C)n12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606114 (4-[(1S)-1- aminopropyl]- 2-{6-[(5$#958;)-5- ethyl-...) Show SMILES CC[C@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@@H](CC)n12)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606118 (4-[(1R)-1- aminopropyl]- 2-{6-[(5R)-5- (hydroxy- m...) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](CO)n12)N(C)C(C)C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606123 (4-[(1$#958;)-1- aminoethyl]-2- {6-[(5$#958;)-5- me...) Show SMILES C[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@@H](C)n12)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606098 (US11684616, Example 1) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](C)n12)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606099 (US11684616, Example 2) Show SMILES CC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4[C@@H](C)N)N4CCC[C@H]4C)C3=O)n12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606100 (US11684616, Example 3) Show SMILES CC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4[C@H](C)N)N4CCC[C@H]4C)C3=O)n12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606101 (US11684616, Example 4) Show SMILES CC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4[C@@H](C)N)N(C)C(C)C)C3=O)n12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606102 (US11684616, Example 5) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](C)n12)N(C)C(C)C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519743 (US11142525, Example 144) Show SMILES CCC(CC)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N2CCC[C@H]2C)C1=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606128 (4-[(1R)-1- aminoethyl]-2- {6-[(5R)-5- (hydroxy- me...) Show SMILES C[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](CO)n12)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606129 (4-[(1R)-1- aminopropyl]- 2-{6-[(5R)-5- (hydroxy- m...) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](CO)n12)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606135 (4-[(1$#958;)-1- aminopropyl]- 6-(1- methylcyclo- p...) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](C)n12)C1(C)CC1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606137 (US11684616, Example 100) Show SMILES CCn1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2C(C)(C)N)N2CCC[C@H]2C)C1=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606194 (US11684616, Example 200) Show SMILES CC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4CNC)N4CCC[C@H]4C)C3=O)n12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606195 (US11684616, Example 201) Show SMILES CC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4CNC)N(C)C(C)C)C3=O)n12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606199 (2-{6-[(5R)-5- (fluoromethyl)- 6,7-dihydro-5H- pyrr...) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](CF)n12)N(C)C(C)C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606204 (4-[(methyl- amino)methyl]- 2-{6-[(5S)- 5-methyl-6,...) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](C)n12)N(C)C(C)C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay				J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519673 (US11142525, Example 74) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)N1[C@@H](C)COC1=O)N(C)C(C)C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519653 (US11142525, Example 55) Show SMILES CCCn1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N2CCC[C@H]2C)C1=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519746 (US11142525, Example 150) Show SMILES CCC(CC)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N(C)C(C)C)C1=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519708 (US11142525, Example 109) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nncn1C(C)C)N1CCCC1(C)C Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606130 (4-[(1R)-1- aminopropyl]- 2-{6-[(5R)-5- (fluorometh...) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](CF)n12)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519770 (US11142525, Example 173) Show SMILES CC[C@H](C)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N(C)CC)C1=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606196 (US11684616, Example 202) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](CF)n12)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606119 (4-[(1R)-1- aminoethyl]-2- {6-[(5S)-5- methyl-6,7- ...) Show SMILES CC(C)N(C)c1cc2C(=O)N(Cc2c(n1)[C@@H](C)N)c1cccc(n1)-c1nnc2CC[C@H](C)n12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606111 (4-[(1R)-1- aminopropyl]- 2-{6-[(5$#958;)-5- ethyl-...) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@@H](CC)n12)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519599 (US11142525, Example 15) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nncn1[C@@H](C)CC(F)(F)F)N1CCCC1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606178 (4-[(1R)-1- aminopropyl]- 2-[6-(4-ethyl- 4H-1,2,4- ...) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nncn1CC)N1CCC[C@H]1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519667 (US11142525, Example 68) Show SMILES C[C@@H]1CCCN1c1cc2C(=O)N(Cc2c(CN)n1)c1cccc(n1)N1[C@@H](CF)COC1=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				Citation and Details BindingDB Entry DOI: 10.7270/Q21C211B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM606134 (4-[(1$#958;)-1- aminopropyl]- 2-{6-[(5R)-5- (hydro...) Show SMILES CC[C@@H](N)c1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nnc2CC[C@H](CO)n12)C1(C)CC1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		0.0740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SF317X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50150101 (CHEMBL419240 | [2-(2,3-Dihydro-benzo[1,4]dioxin-5-...) Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1 Show InChI InChI=1S/C21H23FN2O3/c22-16-6-7-18-17(13-16)15(14-24-18)3-2-8-23-9-10-25-19-4-1-5-20-21(19)27-12-11-26-20/h1,4-7,13-14,23-24H,2-3,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine				J Med Chem 47: 3823-42 (2004) Article DOI: 10.1021/jm0304010 BindingDB Entry DOI: 10.7270/Q2S46RDW
					More data for this Ligand-Target Pair

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