Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'hanschke' and Initial = 'b'   

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 BTK (Homo sapiens (Human))	BDBM50571038 (CHEMBL4868813) Show SMILES CC(C)n1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514956 (US11098041, Example 187) Show SMILES CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(CCN2CCOCC2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571039 (CHEMBL4877846) Show SMILES CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514887 (US11098041, Example 112) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514935 (US11098041, Example 165) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C2(C)CC2)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514891 (US11098041, Example 116) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514915 (US11098041, Example 144) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2cc(no2)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514904 (US11098041, Example 132) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2cc3CCCCc3s2)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571033 (CHEMBL4876326) Show SMILES Cc1c(cnn1C1CCOCC1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571037 (CHEMBL4862532) Show SMILES CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514897 (US11098041, Example 124) Show SMILES CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571029 (CHEMBL4855860) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2C(CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1 Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571034 (CHEMBL4872092) Show SMILES Cc1nn(cc1-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C)C1CCOCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571035 (CHEMBL4857459) Show SMILES CC(C)n1ncc(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514831 (US11098041, Example 55) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)N2CC(C2)OC(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571036 (CHEMBL4851951) Show SMILES CC(C)n1cc(c(C)n1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571031 (CHEMBL4859888) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571032 (CHEMBL4848010) Show SMILES CC(C)(C)c1noc(n1)C(=O)NC1CCCc2cc(ccc12)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514929 (US11098041, Example 159) Show SMILES COc1ccnc(c1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514882 (US11098041, Example 107) Show SMILES Cc1cc(ccc1CNC(=O)c1ccc(cc1)C(C)(C)C)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514938 (US11098041, Example 168) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cn2)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514875 (US11098041, Example 100) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CN2CCc3cc(ccc3C2=O)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571030 (CHEMBL4869875) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1 Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514873 (US11098041, Example 98) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(cc1)C1(CC1)NC(=O)c1nc(no1)C(C)(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571039 (CHEMBL4877846) Show SMILES CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571039 (CHEMBL4877846) Show SMILES CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514783 (US11098041, Example 5) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc2[nH]c(nc12)-c1ccc(cc1)C(=O)N1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Homo sapiens (Human))	BDBM50571039 (CHEMBL4877846) Show SMILES CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FGR				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1 Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TEC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514786 (US11098041, Example 8) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase (Rattus norvegicus)	BDBM50571039 (CHEMBL4877846) Show SMILES CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in rat whole blood				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514806 (US11098041, Example 28) Show SMILES CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)C1CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514891 (US11098041, Example 116) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514793 (US11098041, Example 15) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)C2CCC(CC2)C(C)(C)C)c(F)c1 |(7.1,-4.87,;5.85,-5.78,;4.39,-5.3,;3.48,-6.54,;4.39,-7.79,;5.85,-7.32,;1.94,-6.54,;1.04,-5.3,;-.43,-5.78,;-1.76,-5,;-3.1,-5.78,;-3.1,-7.31,;-1.76,-8.08,;-.43,-7.31,;1.04,-7.79,;-1.76,-3.47,;-3.1,-2.69,;-3.1,-1.15,;-1.76,-.38,;-1.76,1.15,;-.43,1.93,;-.43,3.47,;.91,4.23,;-1.76,4.23,;-1.76,5.78,;-3.1,6.54,;-4.43,5.78,;-4.43,4.23,;-3.1,3.47,;-5.76,6.54,;-5.76,8.08,;-7.1,5.78,;-7.1,7.31,;-.43,-1.15,;.91,-.38,;-.43,-2.69,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514787 (US11098041, Example 9) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc2[nH]c(nc12)-c1cnn(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514897 (US11098041, Example 124) Show SMILES CC(C)(C)c1noc(n1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571037 (CHEMBL4862532) Show SMILES CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514887 (US11098041, Example 112) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1 Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human whole blood				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514795 (US11098041, Example 17) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50571039 (CHEMBL4877846) Show SMILES CC(C)n1nc(C)c(c1C)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human SRC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514837 (US11098041, Example 61) Show SMILES CC1CC2(C1)CN(C2)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571033 (CHEMBL4876326) Show SMILES Cc1c(cnn1C1CCOCC1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514873 (US11098041, Example 98) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(cc1)C1(CC1)NC(=O)c1nc(no1)C(C)(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50388189 (CHEMBL2057918) Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1 Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571031 (CHEMBL4859888) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc2[C@@H](CCCc2c1)NC(=O)c1nc(no1)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM514887 (US11098041, Example 112) Show SMILES Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human whole blood				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50571032 (CHEMBL4848010) Show SMILES CC(C)(C)c1noc(n1)C(=O)NC1CCCc2cc(ccc12)-c1ccnc2[nH]c(nc12)-c1cnn(c1)C1CCOCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC				Citation and Details Article DOI: 10.1016/j.bmc.2021.116163 BindingDB Entry DOI: 10.7270/Q2K35ZF7
					More data for this Ligand-Target Pair

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