Compile Data Set for Download or QSAR

Found 5793 hits with Last Name = 'hou' and Initial = 'r'   

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
Adenosine deaminase (Homo sapiens (Human))	BDBM22925 ((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17| Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113877 BindingDB Entry DOI: 10.7270/Q2PK0M78
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM50367032 (COFORMYCIN) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |r,c:18| Show InChI InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113877 BindingDB Entry DOI: 10.7270/Q2PK0M78
					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
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50229577 (CHEMBL63818) Show SMILES [H][C@@]1(CO)CC[C@]2([H])C(C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCCC Show InChI InChI=1S/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University Curated by ChEMBL					Assay Description Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[...				J Med Chem 35: 2065-9 (1992) BindingDB Entry DOI: 10.7270/Q2Z60R9H
					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))	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))	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))	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))	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))	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))	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))	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
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))	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
Nicotinic acetylcholine receptor (RAT)	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									Mol Pharmacol 48: 280-7 (1995) BindingDB Entry DOI: 10.7270/Q2280648
					More data for this Ligand-Target Pair
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))	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))	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))	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))	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
Nicotinic acetylcholine receptor (RAT)	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									Mol Pharmacol 48: 280-7 (1995) BindingDB Entry DOI: 10.7270/Q2280648
					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))	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
Nicotinic acetylcholine receptor (RAT)	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									Mol Pharmacol 48: 280-7 (1995) BindingDB Entry DOI: 10.7270/Q2280648
					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))	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))	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))	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
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519688 (US11142525, Example 89) Show SMILES CCn1cnnc1-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	<0.0800	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))	BDBM519597 (US11142525, Example 13) Show SMILES C[C@@H](CC(F)(F)F)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N(C)C)C1=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0800	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))	BDBM606120 (4-(2- aminopropan- 2-yl)-6- (dimethyl- amino)-2-{6...) Show SMILES C[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4C(C)(C)N)N(C)C)C3=O)n12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		0.0800	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))	BDBM519595 (US11142525, Example 11) Show SMILES CC(C)c1[nH]ncc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N(C)C)C1=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0900	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))	BDBM519661 (US11142525, Example 62) Show SMILES CCCn1c(C)nnc1-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	0.0900	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

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