Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'lacey' and Initial = 'bm'   

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
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569664 (CHEMBL4859451) Show SMILES COc1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569663 (CHEMBL4870155) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C(C)(F)F)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569665 (CHEMBL4864568) Show SMILES COCc1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569667 (CHEMBL4848845) Show SMILES CO[C@@H](C)c1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569669 (CHEMBL4866139) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2S(N)(=O)=O)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569672 (CHEMBL4865305) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2CO)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0610	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569666 (CHEMBL4855158) Show SMILES COC(C)c1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569657 (CHEMBL4863492) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2Br)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.0940	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569661 (CHEMBL4872743) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C(F)(F)F)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569659 (CHEMBL4866616) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2Cl)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569671 (CHEMBL4860645) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C2CCCO2)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM552514 (2-((2-Methoxy-4-(4-methylpiperazine-1-carbonyl)phe...) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(F)cccc2F)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569660 (CHEMBL4849567) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50604556 (CHEMBL5175703) Show SMILES N.N.[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@H](F)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569668 (CHEMBL4857184) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2N2CCOC2=O)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM552521 (WO2022098809, Example 4-8) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(F)cccc2C(F)(F)F)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569662 (CHEMBL4874375) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C(C)(C)C)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569656 (CHEMBL4871382) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(NC2CCCC2)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509399 (CHEMBL4468010) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H22F2N10O11P2/c21-8-6-1-38-44(34,35)42-12-7(41-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-39-45(36,37)43-13(8)19(40-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM552516 (WO2022098809, Example 4-3 | WO2022098809, Example ...) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(C)cccc2F)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569675 (CHEMBL4859773) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(F)cccc2CO)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569658 (CHEMBL4851277) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2F)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569670 (CHEMBL4868682) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C2CCCOC2)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509421 (CHEMBL4577528) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C20H23FN10O12P2/c21-8-12-7(41-18(8)30-4-26-9-14(22)24-3-25-15(9)30)2-39-45(36,37)43-13-11(32)6(1-38-44(34,35)42-12)40-19(13)31-5-27-10-16(31)28-20(23)29-17(10)33/h3-8,11-13,18-19,32H,1-2H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,28,29,33)/t6-,7-,8-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM552551 (2-((6-Methoxy-2-methyl-1,2,3,4-tetrahydroisoquinol...) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stimulator of interferon genes protein (Human)	BDBM573971 (US11453697, Example 247) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@@H]3[C@@H](CO[P@](S)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50559633 (CHEMBL4797075) Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CC2CCC(C1)N2C Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00672 BindingDB Entry DOI: 10.7270/Q28G8QD1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50559634 (CHEMBL4763655) Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CC[C@@H](C1)N(C)C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00672 BindingDB Entry DOI: 10.7270/Q28G8QD1
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509408 (CHEMBL4459563) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O11P2/c21-11-9-3-38-43(33,34)41-7-1-10(30-5-26-12-15(22)24-4-25-16(12)30)39-8(7)2-37-44(35,36)42-14(11)19(40-9)31-6-27-13-17(31)28-20(23)29-18(13)32/h4-11,14,19H,1-3H2,(H,33,34)(H,35,36)(H2,22,24,25)(H3,23,28,29,32)/t7-,8+,9+,10+,11+,14+,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509422 (CHEMBL4476079) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H]2C[C@H]1OP(O)(=O)OC[C@H]1O[C@H]([C@H](F)[C@@H]1OP(O)(=O)OC2)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O11P2/c21-10-13-9(40-19(10)30-5-26-11-14(22)24-4-25-15(11)30)3-38-43(33,34)41-8-1-7(2-37-44(35,36)42-13)39-18(8)31-6-27-12-16(31)28-20(23)29-17(12)32/h4-10,13,18-19H,1-3H2,(H,33,34)(H,35,36)(H2,22,24,25)(H3,23,28,29,32)/t7-,8+,9+,10+,13+,18+,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM573856 (US11453697, Example 20) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3[C@H]4OC[C@]3(COP(O)(=O)O[C@@H]1[C@@H]2F)O[C@H]4n1cnc2c(N)ncnc12 |r,TLB:19:20:35.34:23.22| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509431 (CHEMBL4589856) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2F)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H23FN10O12P2/c21-8-6-1-38-44(34,35)42-12-7(41-18(11(12)32)30-4-26-9-14(22)24-3-25-15(9)30)2-39-45(36,37)43-13(8)19(40-6)31-5-27-10-16(31)28-20(23)29-17(10)33/h3-8,11-13,18-19,32H,1-2H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,28,29,33)/t6-,7-,8-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50604561 (CHEMBL5197904) Show SMILES N.N.[H][C@@]12CO[P@](S)(=O)O[C@@]3([H])C[C@@H](O[C@]3([H])CO[P@](S)(=O)O[C@]([H])([C@@H]1F)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50506263 (CHEMBL4465054 | US11401295, Compound 2',3'-cGAMP) Show SMILES [H][C@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]([H])([C@@H](O1)n1cnc3c1nc(N)[nH]c3=O)[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50559649 (CHEMBL4778477) Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cc(Cl)cc(n1)N1CCN(C)CC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00672 BindingDB Entry DOI: 10.7270/Q28G8QD1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50559635 (CHEMBL4794486) Show SMILES [H][C@]12CN(c3cccc(n3)-n3ncc4cnc(cc34)-c3c(F)cccc3OC)[C@]([H])(CN1C)C2 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00672 BindingDB Entry DOI: 10.7270/Q28G8QD1
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50604563 (CHEMBL5201164) Show SMILES N.N.[H][C@@]12CO[P@](S)(=O)O[C@@]3([H])[C@@]4([H])OC[C@]3(CO[P@](S)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]4n1cnc2c(N)ncnc12 |r,TLB:9:10:40.41:14.15| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50604560 (CHEMBL5180005) Show SMILES N.N.[H][C@]12C[C@@]([H])(O[P@@](S)(=O)OC[C@@]3([H])O[C@H]([C@H](O)[C@]3([H])O[P@@](S)(=O)OC1)n1cnc3c(N)ncnc13)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50559632 (CHEMBL4795146) Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cc1C#N)-c1cccc(n1)N1CCN(C)CC1 |(19.09,-7.98,;19.08,-9.52,;17.75,-10.28,;16.42,-9.51,;15.08,-10.28,;15.08,-11.84,;16.42,-12.59,;16.43,-14.13,;17.74,-11.82,;19.07,-12.59,;20.4,-11.82,;21.74,-12.59,;23.2,-12.1,;24.11,-13.34,;23.22,-14.6,;21.75,-14.13,;20.41,-14.91,;19.07,-14.14,;17.74,-14.91,;16.41,-15.67,;23.67,-10.64,;22.63,-9.51,;23.1,-8.05,;24.61,-7.71,;25.64,-8.85,;25.18,-10.32,;27.15,-8.52,;28.18,-9.67,;29.68,-9.35,;30.15,-7.89,;31.66,-7.56,;29.12,-6.74,;27.61,-7.07,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00672 BindingDB Entry DOI: 10.7270/Q28G8QD1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50559636 (CHEMBL4760447) Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCN(C)CC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00672 BindingDB Entry DOI: 10.7270/Q28G8QD1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Stimulator of interferon genes protein (Human)	BDBM50604555 (CHEMBL5181746) Show SMILES N.N.[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@]4([H])OC[C@]3(COP(O)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)O[C@H]4n1cnc2c(N)ncnc12 |r,TLB:9:10:40.41:14.15| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50604562 (CHEMBL5185127) Show SMILES N.N.[H][C@@]12CO[P@](S)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])CO[P@](S)(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509412 (CHEMBL4474321 | US11453697, Example 1) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H24N10O12P2/c21-15-11-16(24-4-23-15)29(5-25-11)10-1-7-8(39-10)2-37-44(35,36)42-14-13(31)9(3-38-43(33,34)41-7)40-19(14)30-6-26-12-17(30)27-20(22)28-18(12)32/h4-10,13-14,19,31H,1-3H2,(H,33,34)(H,35,36)(H2,21,23,24)(H3,22,27,28,32)/t7-,8+,9+,10+,13+,14+,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50604559 (CHEMBL5174023) Show SMILES N.N.[H][C@@]12COP(O)(=O)O[C@@]3([H])[C@H](F)[C@@H](O[C@]3([H])COP(O)(=O)O[C@]([H])([C@@H]1F)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50559650 (CHEMBL4778314) Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00672 BindingDB Entry DOI: 10.7270/Q28G8QD1
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50604557 (CHEMBL5191008) Show SMILES N.N.[H][C@]12C[C@@]([H])(OP(O)(=O)OC[C@@]34CO[C@@]([H])([C@@H](O3)n3cnc5c(N)ncnc35)[C@]4([H])OP(O)(=O)OC1)[C@@H](O2)n1cnc2c1nc(N)[nH]c2=O |r,TLB:32:30:14.15:18.19| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02197 BindingDB Entry DOI: 10.7270/Q2028WM5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569678 (CHEMBL4878650) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(c(Nc2ccccc2)n1)C(F)(F)F Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50559651 (CHEMBL4789558) Show SMILES COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccnc(n1)N1CCN(C)CC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00672 BindingDB Entry DOI: 10.7270/Q28G8QD1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569677 (CHEMBL4860928) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C)c(Nc2ccccc2)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569674 (CHEMBL4873991) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(C)cccc2Br)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair

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