Compile Data Set for Download or QSAR

Found 378 hits with Last Name = 'kawamura' and Initial = 's'   

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
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M1 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M5 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M2 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M4 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M3 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M1 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M4 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M2 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M3 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (RAT)	BDBM50374004 (CHEMBL271108) Show SMILES CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41| Show InChI InChI=1S/C52H60BF2N5O4S/c1-37(2)58(38(3)4)32-29-46(41-12-7-5-8-13-41)47-34-40(19-27-49(47)61)28-31-57-51(62)15-9-6-10-30-56-52(63)36-64-45-24-17-39(18-25-45)16-20-42-21-22-43-35-44-23-26-48(50-14-11-33-65-50)60(44)53(54,55)59(42)43/h5,7-8,11-14,16-27,33-35,37-38,46,61H,6,9-10,15,28-32,36H2,1-4H3,(H,56,63)(H,57,62)/b42-20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Displacement of [3H]NMS from muscarinic receptor M5 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method				J Med Chem 61: 4020-4029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00041 BindingDB Entry DOI: 10.7270/Q29Z97H3
					More data for this Ligand-Target Pair
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)
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296527 (CHEMBL552269 | N-(5-(3,5-difluorobenzyl)thiazol-2-...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 Show InChI InChI=1S/C20H18F2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296528 (CHEMBL557445 | N-(5-(4-fluoro-3-(trifluoromethyl)b...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296295 (CHEMBL552173 | N-(5-(3,5-bis(trifluoromethyl)benzy...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1 Show InChI InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in human microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					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
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
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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296295 (CHEMBL552173 | N-(5-(3,5-bis(trifluoromethyl)benzy...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1 Show InChI InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296528 (CHEMBL557445 | N-(5-(4-fluoro-3-(trifluoromethyl)b...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in human microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296526 (CHEMBL552126 | N-(5-(3,5-dichlorobenzyl)thiazol-2-...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296531 (CHEMBL550800 | N-(5-(3,4-dichlorobenzyl)thiazol-2-...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt 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
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
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)
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296531 (CHEMBL550800 | N-(5-(3,4-dichlorobenzyl)thiazol-2-...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in human microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50296526 (CHEMBL552126 | N-(5-(3,5-dichlorobenzyl)thiazol-2-...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in human microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296522 (CHEMBL561588 | N-(5-(3-chlorobenzyl)thiazol-2-yl)-...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 Show InChI InChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50310094 ((7-carbamoyl-8H-indeno[1,2-d]thiazol-4-yloxy)methy...) Show SMILES NC(=O)c1ccc(OCP(O)(O)=O)c-2c1Cc1scnc-21 Show InChI InChI=1S/C12H11N2O5PS/c13-12(15)6-1-2-8(19-5-20(16,17)18)10-7(6)3-9-11(10)14-4-21-9/h1-2,4H,3,5H2,(H2,13,15)(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co, Ltd Curated by ChEMBL					Assay Description Inhibition of human liver recombinant FBPase				Bioorg Med Chem Lett 20: 1004-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.056 BindingDB Entry DOI: 10.7270/Q2JW8F1D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296529 (CHEMBL552270 | N-(5-(3-chloro-4-fluorobenzyl)thiaz...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(Cl)c2)s1 Show InChI InChI=1S/C20H18ClFN2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-16(22)15(21)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					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
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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296294 (3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...) Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C21H19F3N2O4S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50296533 (3-(4-methoxyphenyl)-N-(5-(3-(trifluoromethyl)benzy...) Show SMILES COc1ccc(\C=C\C(=O)Nc2ncc(Cc3cccc(c3)C(F)(F)F)s2)cc1 Show InChI InChI=1S/C21H17F3N2O2S/c1-28-17-8-5-14(6-9-17)7-10-19(27)26-20-25-13-18(29-20)12-15-3-2-4-16(11-15)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,26,27)/b10-7+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 19: 4151-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.119 BindingDB Entry DOI: 10.7270/Q21836H1
					More data for this Ligand-Target Pair

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