Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'casimiro garcia' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50587599 (CHEMBL5087453 | US11661419, Example 53 | US2023028...) Show SMILES [H][C@]12Cc3c(C[C@@]1(C)C2(F)F)[nH]nc3-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(C)cc2[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604264 (US11661419, Example 13 | US20230280220, Example 13) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@]3(C)[C@H](Cc12)C3(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604302 (US11661419, Example 51 | US20230280220, Example 51) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc(C)c2[nH]c(nc2c1)-c1n[nH]c2C[C@]3(C)[C@H](Cc12)C3(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50587592 (CHEMBL5090091 | US11661419, Example 7 | US20230280...) Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(-c3nc4cc(ccc4[nH]3)N(C)C(=O)[C@H](C)C3CCOCC3)c1C2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50587593 (CHEMBL5088468 | US11661419, Example 11 | US2023028...) Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(ccc2[nH]1)N(C)C(=O)C(F)(F)C1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604263 (US11661419, Example 12 | US20230280220, Example 12) Show SMILES C[C@H](C1CCOCC1)C(=O)N(C)c1cc(F)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604265 (US11661419, Example 14 | US20230280220, Example 14) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604255 (US11661419, Example 4 | US20230280220, Example 4) Show SMILES C[C@H](C1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604266 (US11661419, Example 15 | US20230280220, Example 15) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc(F)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604259 (US11661419, Example 8 | US20230280220, Example 8) Show SMILES CC(C1CCOCC1)C(=O)N(C)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604267 (US11661419, Example 16 | US20230280220, Example 16) Show SMILES CCN(C(=O)[C@H](C)N1CCOCC1)c1cc(F)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604306 (US11661419, Example 55 | US20230280220, Example 55) Show SMILES C[C@H](C1CCOCC1)C(=O)N(C)c1cc(C#N)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604271 (US11661419, Example 20 | US20230280220, Example 20) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1Br)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50587596 (CHEMBL5086824 | US11661419, Example 36 | US2023028...) Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)CN3CCOCC3=O)c(C)cc2[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604268 (US11661419, Example 17 | US20230280220, Example 17) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1F)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604256 (US11661419, Example 5 | US20230280220, Example 5) Show SMILES CC(C1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50587598 (CHEMBL5074957 | US11661419, Example 46 | US2023028...) Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(C)c(F)c2[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604286 (US11661419, Example 35 | US20230280220, Example 35) Show SMILES CN(C(=O)CC1CCOCC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50587590 (CHEMBL5084598 | US11661419, Example 1 | US20230280...) Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(-c3nc4cc(N(C)C(=O)[C@H](C)N5CCOCC5)c(C)cc4[nH]3)c1C2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604289 (US11661419, Example 38 | US20230280220, Example 38) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc(C#N)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604261 (US11661419, Example 10 | US20230280220, Example 10) Show SMILES CN(C(=O)CC1CCOCC1)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604275 (US11661419, Example 24 | US20230280220, Example 24) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2c(F)c1F)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50587597 (CHEMBL5079033 | US11661419, Example 39 | US2023028...) Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(cc(O)c2[nH]1)N(C)C(=O)[C@H](C)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604288 (US11661419, Example 37 | US20230280220, Example 37) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc(Br)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604272 (US11661419, Example 21 | US20230280220, Example 21) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2cc1C#N)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50587594 (CHEMBL5082562 | US11661419, Example 18 | US2023028...) Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(c1C2)-c1nc2cc(N(C)C(=O)[C@H](C)N3CCOCC3)c(CC)cc2[nH]1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604270 (US11661419, Example 19 | US20230280220, Example 19) Show SMILES COc1cc2[nH]c(nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604285 (US11661419, Example 34 | US20230280220, Example 34) Show SMILES CN(C(=O)CN1CCOCC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604257 (US11661419, Example 6 | US20230280220, Example 6) Show SMILES CCN(C(=O)[C@H](C)N1CCOCC1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604284 (US11661419, Example 33 | US20230280220, Example 33) Show SMILES C[C@H]1CN(CC(=O)N(C)c2cc3nc([nH]c3cc2C)-c2n[nH]c3C[C@@]4(C)C[C@H]4Cc23)C[C@H](C)O1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604300 (US11661419, Example 49 | US20230280220, Example 49) Show SMILES COCCOc1cc2[nH]c(nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604280 (US11661419, Example 29 | US20230280220, Example 29) Show SMILES CN(C(=O)CN1CCOC(C)(C)C1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604277 (US11661419, Example 26 | US20230280220, Example 26) Show SMILES CN(C(=O)CN1CCO[C@H](CO)C1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604276 (US11661419, Example 25 | US20230280220, Example 25) Show SMILES CCN(C(=O)[C@H](C)N1CCOCC1)c1cc2nc([nH]c2c(F)c1F)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604282 (US11661419, Example 31 | US20230280220, Example 31) Show SMILES C[C@H]1CN(CC(=O)N(C)c2cc3nc([nH]c3cc2C)-c2n[nH]c3C[C@@]4(C)C[C@H]4Cc23)CCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604281 (US11661419, Example 30 | US20230280220, Example 30) Show SMILES C[C@@H]1CN(CC(=O)N(C)c2cc3nc([nH]c3cc2C)-c2n[nH]c3C[C@@]4(C)C[C@H]4Cc23)CCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50587591 (CHEMBL5080834 | US11661419, Example 3 | US20230280...) Show SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(-c3nc4cc(N(C)C(=O)[C@@H](C)N5CCOCC5)c(C)cc4[nH]3)c1C2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604301 (US11661419, Example 50 | US20230280220, Example 50) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc(C)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604294 (US11661419, Example 43 | US20230280220, Example 43) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc(Cl)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604283 (US11661419, Example 32 | US20230280220, Example 32) Show SMILES C[C@@H]1CN(CC(=O)N(C)c2cc3nc([nH]c3cc2C)-c2n[nH]c3C[C@@]4(C)C[C@H]4Cc23)C[C@@H](C)O1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604296 (US11661419, Example 45 | US20230280220, Example 45) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc(CO)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604299 (US11661419, Example 48 | US20230280220, Example 48) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc(C(F)F)c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604278 (US11661419, Example 27 | US20230280220, Example 27) Show SMILES CN(C(=O)CN1CCOC(CO)C1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604279 (US11661419, Example 28 | US20230280220, Example 28) Show SMILES CN(C(=O)CN1CCO[C@@H](CO)C1)c1cc2nc([nH]c2cc1C)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604291 (US11661419, Example 40 | US20230280220, Example 40) Show SMILES COc1cc(cc2nc([nH]c12)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)N(C)C(=O)[C@H](C)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604260 (US11661419, Example 9 | US20230280220, Example 9) Show SMILES C[C@@H](C1CCOCC1)C(=O)N(C)c1ccc2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604295 (US11661419, Example 44 | US20230280220, Example 44) Show SMILES CCc1cc(cc2nc([nH]c12)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)N(C)C(=O)[C@H](C)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604298 (US11661419, Example 47 | US20230280220, Example 47) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc2nc([nH]c2c(C)c1F)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604292 (US11661419, Example 41 | US20230280220, Example 41) Show SMILES C[C@H](N1CCOCC1)C(=O)N(C)c1cc(c2[nH]c(nc2c1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM604293 (US11661419, Example 42 | US20230280220, Example 42) Show SMILES COCc1cc(cc2nc([nH]c12)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)N(C)C(=O)[C@H](C)N1CCOCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2M049K2
					More data for this Ligand-Target Pair

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