Compile Data Set for Download or QSAR

Found 2598 hits with Last Name = 'raaijmakers' and Initial = 'h'   

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))	BDBM50558092 (CHEMBL4784814) Show SMILES C[C@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267789 (4-{8-amino-3-[(3R,6S)-1-(cyclopropylcarbonyl)-6-me...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H29F4N7O3/c1-16-3-4-18(13-41(16)28(43)29(2)14-44-15-29)26-39-23(24-25(35)37-9-10-40(24)26)20-6-5-17(11-21(20)31)27(42)38-22-12-19(7-8-36-22)30(32,33)34/h5-12,16,18H,3-4,13-15H2,1-2H3,(H2,35,37)(H,36,38,42)/t16-,18+/m0/s1	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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558095 (CHEMBL4752314) Show SMILES C[C@H]1CC[C@H](CN1C(C)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558093 (CHEMBL4798236) Show SMILES C[C@@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558088 (CHEMBL4751655) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267703 ((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-2-3-19(14-38)25-37-22(23-24(33)35-10-12-39(23)25)17-4-6-18(7-5-17)26(40)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1	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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267791 (4-{8-amino-3-[(3R,6S)-1-(cyclopropylcarbonyl)-6-me...) Show SMILES CCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27F4N7O2/c1-3-22(40)39-14-17(5-4-15(39)2)26-37-23(24-25(33)35-10-11-38(24)26)19-7-6-16(12-20(19)29)27(41)36-21-13-18(8-9-34-21)28(30,31)32/h6-13,15,17H,3-5,14H2,1-2H3,(H2,33,35)(H,34,36,41)/t15-,17+/m0/s1	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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267819 (4-(8-amino-3-{(3S,6S)-6-(methoxymethyl)-1-[(3-meth...) Show SMILES COC[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H32F3N7O4/c1-30(16-45-17-30)29(43)41-14-20(7-8-22(41)15-44-2)27-39-24(25-26(35)37-11-12-40(25)27)18-3-5-19(6-4-18)28(42)38-23-13-21(9-10-36-23)31(32,33)34/h3-6,9-13,20,22H,7-8,14-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-,22-/m1/s1	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	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267790 (4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H27F4N7O2/c1-15-2-3-18(14-40(15)28(42)16-4-5-16)26-38-23(24-25(34)36-10-11-39(24)26)20-7-6-17(12-21(20)30)27(41)37-22-13-19(8-9-35-22)29(31,32)33/h6-13,15-16,18H,2-5,14H2,1H3,(H2,34,36)(H,35,37,41)/t15-,18+/m0/s1	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	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558090 (CHEMBL4756290) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C(C)(C)O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558112 (CHEMBL4799627) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267792 (4-{8-amino-3-[(3R,6S)-6-methyl-1-propanoylpiperidi...) Show SMILES COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H29F4N7O3/c1-16-3-4-18(15-40(16)23(41)8-12-43-2)27-38-24(25-26(34)36-10-11-39(25)27)20-6-5-17(13-21(20)30)28(42)37-22-14-19(7-9-35-22)29(31,32)33/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t16-,18+/m0/s1	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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267869 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H27FN8O3/c1-29(15-41-16-29)28(40)37-9-2-3-19(14-37)26-36-23(24-25(32)34-8-10-38(24)26)20-5-4-18(12-21(20)30)27(39)35-22-11-17(13-31)6-7-33-22/h4-8,10-12,19H,2-3,9,14-16H2,1H3,(H2,32,34)(H,33,35,39)/t19-/m1/s1	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	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558109 (CHEMBL4764215) Show SMILES CCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |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	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558097 (CHEMBL4787427) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2F)c2c(N)nccn12 |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	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558107 (CHEMBL4743911) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC(F)(F)Cl)ccn2)c2c(N)nccn12 |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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558094 (CHEMBL4764139) Show SMILES C[C@H]1CC[C@H](CN1C(=O)c1cnoc1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267870 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC3CC3)ccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H32FN7O4/c1-31(16-42-17-31)30(41)38-11-2-3-19(15-38)28-37-25(26-27(33)35-10-12-39(26)28)22-7-4-18(13-23(22)32)29(40)36-24-14-21(8-9-34-24)43-20-5-6-20/h4,7-10,12-14,19-20H,2-3,5-6,11,15-17H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1	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	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558089 (CHEMBL4788780) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(O)CCC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558108 (CHEMBL4783242) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)-n2cccn2)c2c(N)nccn12 |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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558091 (CHEMBL4781173) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C(C)(C)CO)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267867 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28F3N7O3/c1-29(14-42-15-29)28(41)38-9-2-3-18(13-38)26-37-22(23-25(33)35-8-10-39(23)26)19-5-4-17(11-20(19)30)27(40)36-21-12-16(24(31)32)6-7-34-21/h4-8,10-12,18,24H,2-3,9,13-15H2,1H3,(H2,33,35)(H,34,36,40)/t18-/m1/s1	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	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558110 (CHEMBL4794031) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |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	0.740	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267810 (4-{8-amino-3-[(3S,6R)-1-propanoyl-6-(trifluorometh...) Show SMILES CC1(COC1)C(=O)N1C[C@@H](CC[C@@H]1C(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H28F5N7O3/c1-29(14-45-15-29)28(44)42-13-18(6-7-20(42)24(31)32)26-40-22(23-25(36)38-10-11-41(23)26)16-2-4-17(5-3-16)27(43)39-21-12-19(8-9-37-21)30(33,34)35/h2-5,8-12,18,20,24H,6-7,13-15H2,1H3,(H2,36,38)(H,37,39,43)/t18-,20-/m1/s1	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	0.860	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558098 (CHEMBL4751902) Show SMILES COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12 |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	0.980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267864 (4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...) Show SMILES COc1cc(ccc1-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C30H30F3N7O4/c1-29(15-44-16-29)28(42)39-10-3-4-18(14-39)26-38-23(24-25(34)36-9-11-40(24)26)20-6-5-17(12-21(20)43-2)27(41)37-22-13-19(7-8-35-22)30(31,32)33/h5-9,11-13,18H,3-4,10,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t18-/m1/s1	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 Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558111 (CHEMBL4796764) Show SMILES Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267791 (4-{8-amino-3-[(3R,6S)-1-(cyclopropylcarbonyl)-6-me...) Show SMILES CCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27F4N7O2/c1-3-22(40)39-14-17(5-4-15(39)2)26-37-23(24-25(33)35-10-11-38(24)26)19-7-6-16(12-20(19)29)27(41)36-21-13-18(8-9-34-21)28(30,31)32/h6-13,15,17H,3-5,14H2,1-2H3,(H2,33,35)(H,34,36,41)/t15-,17+/m0/s1	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267792 (4-{8-amino-3-[(3R,6S)-6-methyl-1-propanoylpiperidi...) Show SMILES COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H29F4N7O3/c1-16-3-4-18(15-40(16)23(41)8-12-43-2)27-38-24(25-26(34)36-10-11-39(25)27)20-6-5-17(13-21(20)30)28(42)37-22-14-19(7-9-35-22)29(31,32)33/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t16-,18+/m0/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558092 (CHEMBL4784814) Show SMILES C[C@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267859 (4-[8-amino-5-(hydroxymethyl)-3-{(3R)-1-[(3-methylo...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H27F4N7O3/c1-28(14-43-15-28)27(42)39-9-2-3-17(13-39)25-38-22(23-24(34)36-8-10-40(23)25)16-4-5-19(20(30)11-16)26(41)37-21-12-18(6-7-35-21)29(31,32)33/h4-8,10-12,17H,2-3,9,13-15H2,1H3,(H2,34,36)(H,35,37,41)/t17-/m1/s1	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558088 (CHEMBL4751655) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267789 (4-{8-amino-3-[(3R,6S)-1-(cyclopropylcarbonyl)-6-me...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H29F4N7O3/c1-16-3-4-18(13-41(16)28(43)29(2)14-44-15-29)26-39-23(24-25(35)37-9-10-40(24)26)20-6-5-17(11-21(20)31)27(42)38-22-12-19(7-8-36-22)30(32,33)34/h5-12,16,18H,3-4,13-15H2,1-2H3,(H2,35,37)(H,36,38,42)/t16-,18+/m0/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558101 (CHEMBL4784093) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2nccs2)c2c(N)nccn12 |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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558096 (CHEMBL4753001) Show SMILES CC1(COC1)C(=O)N1C[C@@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558095 (CHEMBL4752314) Show SMILES C[C@H]1CC[C@H](CN1C(C)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267819 (4-(8-amino-3-{(3S,6S)-6-(methoxymethyl)-1-[(3-meth...) Show SMILES COC[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H32F3N7O4/c1-30(16-45-17-30)29(43)41-14-20(7-8-22(41)15-44-2)27-39-24(25-26(35)37-11-12-40(25)27)18-3-5-19(6-4-18)28(42)38-23-13-21(9-10-36-23)31(32,33)34/h3-6,9-13,20,22H,7-8,14-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-,22-/m1/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267790 (4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H27F4N7O2/c1-15-2-3-18(14-40(15)28(42)16-4-5-16)26-38-23(24-25(34)36-10-11-39(24)26)20-7-6-17(12-21(20)30)27(41)37-22-13-19(8-9-35-22)29(31,32)33/h6-13,15-16,18H,2-5,14H2,1H3,(H2,34,36)(H,35,37,41)/t15-,18+/m0/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558094 (CHEMBL4764139) Show SMILES C[C@H]1CC[C@H](CN1C(=O)c1cnoc1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558093 (CHEMBL4798236) Show SMILES C[C@@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558107 (CHEMBL4743911) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC(F)(F)Cl)ccn2)c2c(N)nccn12 |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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558090 (CHEMBL4756290) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C(C)(C)O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267860 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(Cl)c2)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H27ClF3N7O3/c1-28(14-43-15-28)27(42)39-9-2-3-17(13-39)25-38-22(23-24(34)36-8-10-40(23)25)16-4-5-19(20(30)11-16)26(41)37-21-12-18(6-7-35-21)29(31,32)33/h4-8,10-12,17H,2-3,9,13-15H2,1H3,(H2,34,36)(H,35,37,41)/t17-/m1/s1	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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558112 (CHEMBL4799627) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267703 ((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-2-3-19(14-38)25-37-22(23-24(33)35-10-12-39(23)25)17-4-6-18(7-5-17)26(40)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1	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	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50558089 (CHEMBL4788780) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(O)CCC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |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	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267904 (4-(8-amino-3-{(2R)-4-[(2S)-2-hydroxypropanoyl]morp...) Show SMILES C[C@@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H24F3N7O4/c1-14(37)25(39)35-10-11-40-18(13-35)23-34-20(21-22(30)32-8-9-36(21)23)15-2-4-16(5-3-15)24(38)33-19-12-17(6-7-31-19)26(27,28)29/h2-9,12,14,18,37H,10-11,13H2,1H3,(H2,30,32)(H,31,33,38)/t14-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267905 (4-(8-amino-3-{(2R)-4-[(2R)-2-hydroxypropanoyl]morp...) Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H24F3N7O4/c1-39-14-20(37)35-10-11-40-18(13-35)24-34-21(22-23(30)32-8-9-36(22)24)15-2-4-16(5-3-15)25(38)33-19-12-17(6-7-31-19)26(27,28)29/h2-9,12,18H,10-11,13-14H2,1H3,(H2,30,32)(H,31,33,38)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267906 (4-{8-amino-3-[(2R)-4-(methoxyacetyl)morpholin-2-yl...) Show SMILES CCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r| Show InChI InChI=1S/C25H23ClF3N7O2/c1-2-35-9-10-38-17(13-35)23-34-20(21-22(30)32-12-18(26)36(21)23)14-3-5-15(6-4-14)24(37)33-19-11-16(7-8-31-19)25(27,28)29/h3-8,11-12,17H,2,9-10,13H2,1H3,(H2,30,32)(H,31,33,37)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267907 (4-{8-amino-5-chloro-3-[(2R)-4-ethylmorpholin-2-yl]...) Show SMILES C[C@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r| Show InChI InChI=1S/C26H23ClF3N7O4/c1-13(38)25(40)36-8-9-41-17(12-36)23-35-20(21-22(31)33-11-18(27)37(21)23)14-2-4-15(5-3-14)24(39)34-19-10-16(6-7-32-19)26(28,29)30/h2-7,10-11,13,17,38H,8-9,12H2,1H3,(H2,31,33)(H,32,34,39)/t13-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair

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