Compile Data Set for Download or QSAR

Found 1044 hits with Last Name = 'prince' and Initial = 'r'   

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))	BDBM50583942 (CHEMBL5088454) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)N2CC[C@H](C2)C(C)(C)C)cn1 |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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324380 (1-(tert-butyl)-N- (2-(2-((1- methyl-1H-pyrazol-4- ...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H31N9O/c1-26(2,3)35-16-23(32-33-35)24(36)30-22-8-6-5-7-17-13-18(9-10-20(17)22)21-11-12-27-25(31-21)29-19-14-28-34(4)15-19/h9-16,22H,5-8H2,1-4H3,(H,30,36)(H,27,29,31)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324290 (5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-32-22(33-36-24)23(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)	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 human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324294 (3-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-32-23(36-33-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)	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 human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583944 (CHEMBL5089878) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2cnc(s2)C(C)(C)C)cn1 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 human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583938 (CHEMBL5090290) Show SMILES CC(C)OC1CN(C1)C(=O)N[C@@H]1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1 |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 human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324337 (5-(tert-butyl)-N-(2- (2-((1- methyl-1H-pyrazol-4- ...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)	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 human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583941 (CHEMBL5087183) Show SMILES CC(C)C1CCN(C1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1 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 human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324288 ((R)-1-(tert-butyl)-N-(2-(2-methoxyethyl)-8-(2-((1-...) Show SMILES COCCN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r| Show InChI InChI=1S/C28H36N10O2/c1-28(2,3)38-18-25(34-35-38)26(39)32-24-9-11-37(12-13-40-5)16-20-14-19(6-7-22(20)24)23-8-10-29-27(33-23)31-21-15-30-36(4)17-21/h6-8,10,14-15,17-18,24H,9,11-13,16H2,1-5H3,(H,32,39)(H,29,31,33)/t24-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324284 ((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324285 ((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C27H31F3N10O/c1-26(2,3)40-15-23(36-37-40)24(41)34-22-8-10-39(16-27(28,29)30)13-18-11-17(5-6-20(18)22)21-7-9-31-25(35-21)33-19-12-32-38(4)14-19/h5-7,9,11-12,14-15,22H,8,10,13,16H2,1-4H3,(H,34,41)(H,31,33,35)/t22-/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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583947 (CHEMBL5085931) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324293 ((R)-5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)/t21-/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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583945 (CHEMBL5080861) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583946 (CHEMBL5076817) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1 |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	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583932 (CHEMBL5073223) Show SMILES CC(C)OC1CN(C1)C(=O)NCc1ccc(cc1C(F)(F)F)-c1ccnc(Nc2cnn(C)c2)n1 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 human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583937 (CHEMBL5091935) Show SMILES CC(C)OC1CN(C1)C(=O)NC1CCCCC2C=C(C=CC12)c1ccnc(Nc2cnn(C)c2)n1 |c:18,20| 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 human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583950 (CHEMBL5094998) Show SMILES CN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50583948 (CHEMBL5081318) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CNCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00926 BindingDB Entry DOI: 10.7270/Q23B641C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480005 (3-(tert-butyl)-N-(2-methyl-4-(4-((1-methyl-1H-pyra...) Show SMILES Cc1cc(ccc1CNC(=O)c1nc(no1)C(C)(C)C)-c1ncnc(Nc2ccn(C)n2)n1 Show InChI InChI=1S/C22H25N9O2/c1-13-10-14(17-24-12-25-21(27-17)26-16-8-9-31(5)29-16)6-7-15(13)11-23-18(32)19-28-20(30-33-19)22(2,3)4/h6-10,12H,11H2,1-5H3,(H,23,32)(H,24,25,26,27,29)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480006 (3-(tert-butyl)-N-(2-chloro-4-(4-((1-methyl-1H-pyra...) Show SMILES Cn1ccc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(Cl)c2)n1 Show InChI InChI=1S/C21H22ClN9O2/c1-21(2,3)19-28-18(33-30-19)17(32)23-10-13-6-5-12(9-14(13)22)16-24-11-25-20(27-16)26-15-7-8-31(4)29-15/h5-9,11H,10H2,1-4H3,(H,23,32)(H,24,25,26,27,29)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480007 (5-(tert-butyl)-N-(3-fluoro-2-methyl-4-(4-((1-methy...) Show SMILES Cc1c(CNC(=O)c2noc(n2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2ccn(C)n2)n1 Show InChI InChI=1S/C22H24FN9O2/c1-12-13(10-24-19(33)18-28-20(34-31-18)22(2,3)4)6-7-14(16(12)23)17-25-11-26-21(29-17)27-15-8-9-32(5)30-15/h6-9,11H,10H2,1-5H3,(H,24,33)(H,25,26,27,29,30)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480008 (3-(tert-butyl)-N-(3-fluoro-2-methyl-4-(4-((1-methy...) Show SMILES Cc1c(CNC(=O)c2nc(no2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2ccn(C)n2)n1 Show InChI InChI=1S/C22H24FN9O2/c1-12-13(10-24-18(33)19-29-20(31-34-19)22(2,3)4)6-7-14(16(12)23)17-25-11-26-21(28-17)27-15-8-9-32(5)30-15/h6-9,11H,10H2,1-5H3,(H,24,33)(H,25,26,27,28,30)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480034 (5-(tert-butyl)-N-(2-methyl-4-(4-((1-methyl-1H-pyra...) Show SMILES Cc1cc(ccc1CNC(=O)c1noc(n1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1 Show InChI InChI=1S/C22H25N9O2/c1-13-8-14(17-24-12-25-21(29-17)27-16-10-26-31(5)11-16)6-7-15(13)9-23-19(32)18-28-20(33-30-18)22(2,3)4/h6-8,10-12H,9H2,1-5H3,(H,23,32)(H,24,25,27,29)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480041 (3-(tert-butyl)-N-(2-methyl-4-(4-((1-methyl-1H-pyra...) Show SMILES Cc1cc(ccc1CNC(=O)c1nc(no1)C(C)(C)C)-c1ncnc(Nc2cnn(C)c2)n1 Show InChI InChI=1S/C22H25N9O2/c1-13-8-14(17-24-12-25-21(28-17)27-16-10-26-31(5)11-16)6-7-15(13)9-23-18(32)19-29-20(30-33-19)22(2,3)4/h6-8,10-12H,9H2,1-5H3,(H,23,32)(H,24,25,27,28)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480062 (5-(tert-butyl)-N-(3-fluoro-2-methyl-4-(4-((1-methy...) Show SMILES Cc1c(CNC(=O)c2noc(n2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1 Show InChI InChI=1S/C22H24FN9O2/c1-12-13(8-24-19(33)18-29-20(34-31-18)22(2,3)4)6-7-15(16(12)23)17-25-11-26-21(30-17)28-14-9-27-32(5)10-14/h6-7,9-11H,8H2,1-5H3,(H,24,33)(H,25,26,28,30)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480064 (3-(tert-butyl)-N-(3-fluoro-2-methyl-4-(4-((1-methy...) Show SMILES Cc1c(CNC(=O)c2nc(no2)C(C)(C)C)ccc(c1F)-c1ncnc(Nc2cnn(C)c2)n1 Show InChI InChI=1S/C22H24FN9O2/c1-12-13(8-24-18(33)19-30-20(31-34-19)22(2,3)4)6-7-15(16(12)23)17-25-11-26-21(29-17)28-14-9-27-32(5)10-14/h6-7,9-11H,8H2,1-5H3,(H,24,33)(H,25,26,28,29)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480075 (5-(tert-butyl)-N-(2-chloro-4-(4-((1-methyl-1H-pyra...) Show SMILES Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(Cl)c2)cn1 Show InChI InChI=1S/C21H22ClN9O2/c1-21(2,3)19-28-17(30-33-19)18(32)23-8-13-6-5-12(7-15(13)22)16-24-11-25-20(29-16)27-14-9-26-31(4)10-14/h5-7,9-11H,8H2,1-4H3,(H,23,32)(H,24,25,27,29)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480078 (3-(tert-butyl)-N-(2-chloro-4-(4-((1-methyl-1H-pyra...) Show SMILES Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(Cl)c2)cn1 Show InChI InChI=1S/C21H22ClN9O2/c1-21(2,3)19-29-18(33-30-19)17(32)23-8-13-6-5-12(7-15(13)22)16-24-11-25-20(28-16)27-14-9-26-31(4)10-14/h5-7,9-11H,8H2,1-4H3,(H,23,32)(H,24,25,27,28)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480079 (5-(tert-butyl)-N-(4-(4-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3noc(n3)C(C)(C)C)c(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C22H22F3N9O2/c1-21(2,3)19-31-17(33-36-19)18(35)26-8-13-6-5-12(7-15(13)22(23,24)25)16-27-11-28-20(32-16)30-14-9-29-34(4)10-14/h5-7,9-11H,8H2,1-4H3,(H,26,35)(H,27,28,30,32)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM480080 (3-(tert-butyl)-N-(4-(4-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2ncnc(n2)-c2ccc(CNC(=O)c3nc(no3)C(C)(C)C)c(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C22H22F3N9O2/c1-21(2,3)19-32-18(36-33-19)17(35)26-8-13-6-5-12(7-15(13)22(23,24)25)16-27-11-28-20(31-16)30-14-9-29-34(4)10-14/h5-7,9-11H,8H2,1-4H3,(H,26,35)(H,27,28,30,31)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10899753 (2021) BindingDB Entry DOI: 10.7270/Q2154M4D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324209 (5-(tert-butyl)-N-(7-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-32-21(33-36-23)22(35)30-20-13-26-9-7-15-11-16(5-6-18(15)20)19-8-10-27-24(31-19)29-17-12-28-34(4)14-17/h5-6,8,10-12,14,20,26H,7,9,13H2,1-4H3,(H,30,35)(H,27,29,31)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324234 ((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324258 (5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)S(C)(=O)=O)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H31N9O4S/c1-26(2,3)24-32-22(33-39-24)23(36)30-21-9-11-35(40(5,37)38)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-34(4)15-18/h6-8,10,12-13,15,21H,9,11,14H2,1-5H3,(H,30,36)(H,27,29,31)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324261 (5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324262 (5-(tert-butyl)-N-(2-(3-hydroxycyclobutyl)-8-(2-((1...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |(9.26,-11.9,;7.72,-11.9,;6.81,-13.15,;5.35,-12.67,;4.02,-13.44,;2.68,-12.67,;1.35,-13.44,;.01,-12.67,;.01,-11.13,;1.35,-10.36,;2.68,-11.13,;1.35,-8.82,;2.68,-8.05,;2.68,-6.51,;1.35,-5.74,;1.34,-4.22,;.43,-3.23,;-1.1,-3.35,;-1.87,-4.48,;-1.42,-5.95,;.01,-6.51,;.01,-8.05,;-3.4,-4.25,;-4.26,-2.97,;-5.53,-3.83,;-7.05,-3.53,;-4.67,-5.11,;2.67,-3.45,;4,-4.22,;4,-5.76,;5.34,-3.45,;5.34,-1.91,;6.8,-1.43,;7.71,-2.68,;6.8,-3.92,;9.19,-3.08,;9.59,-4.56,;8.42,-1.74,;9.96,-1.74,;5.35,-11.13,;6.81,-10.65,)| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324263 (5-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-yl)a...) Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C29H35N9O3/c1-5-38-15-20(13-31-38)32-28-30-10-8-23(34-28)18-6-7-22-19(12-18)14-37(21-16-40-17-21)11-9-24(22)33-26(39)25-35-27(41-36-25)29(2,3)4/h6-8,10,12-13,15,21,24H,5,9,11,14,16-17H2,1-4H3,(H,33,39)(H,30,32,34)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324264 (5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C30H37N9O3/c1-30(2,3)28-36-26(37-42-28)27(40)34-25-8-12-39(22-9-13-41-14-10-22)17-20-15-19(5-6-23(20)25)24-7-11-31-29(35-24)33-21-16-32-38(4)18-21/h5-7,11,15-16,18,22,25H,8-10,12-14,17H2,1-4H3,(H,34,40)(H,31,33,35)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324265 ((R)-5-(tert-butyl)-N-(8-(2-((1,5-dimethyl-1H-pyraz...) Show SMILES Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cnn1C |r| Show InChI InChI=1S/C28H35N9O3/c1-17-23(15-30-36(17)5)33-27-29-10-8-21(32-27)18-6-7-20-19(14-18)16-37(12-13-38)11-9-22(20)31-25(39)24-34-26(40-35-24)28(2,3)4/h6-8,10,14-15,22,38H,9,11-13,16H2,1-5H3,(H,31,39)(H,29,32,33)/t22-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324266 (5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324267 ((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C27H30F3N9O2/c1-26(2,3)24-36-22(37-41-24)23(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35)/t21-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324268 (5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C30H37N9O3/c1-30(2,3)28-37-36-27(42-28)26(40)34-25-8-12-39(22-9-13-41-14-10-22)17-20-15-19(5-6-23(20)25)24-7-11-31-29(35-24)33-21-16-32-38(4)18-21/h5-7,11,15-16,18,22,25H,8-10,12-14,17H2,1-4H3,(H,34,40)(H,31,33,35)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324269 (5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324234 ((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324271 (5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)S(C)(=O)=O)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C26H31N9O4S/c1-26(2,3)24-33-32-23(39-24)22(36)30-21-9-11-35(40(5,37)38)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-34(4)15-18/h6-8,10,12-13,15,21H,9,11,14H2,1-5H3,(H,30,36)(H,27,29,31)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324272 ((R)-5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-...) Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H37N9O3/c1-18(2)38-17-21(15-31-38)32-28-30-10-8-23(34-28)19-6-7-22-20(14-19)16-37(12-13-39)11-9-24(22)33-25(40)26-35-36-27(41-26)29(3,4)5/h6-8,10,14-15,17-18,24,39H,9,11-13,16H2,1-5H3,(H,33,40)(H,30,32,34)/t24-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324273 ((R)-5-(tert-butyl)-N-(8-(2-((1-isopropyl-1H-pyrazo...) Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C30H37N9O3/c1-18(2)39-15-21(13-32-39)33-29-31-10-8-24(35-29)19-6-7-23-20(12-19)14-38(22-16-41-17-22)11-9-25(23)34-26(40)27-36-37-28(42-27)30(3,4)5/h6-8,10,12-13,15,18,22,25H,9,11,14,16-17H2,1-5H3,(H,34,40)(H,31,33,35)/t25-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324274 ((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C27H30F3N9O2/c1-26(2,3)24-37-36-23(41-24)22(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35)/t21-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324275 (5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-meth...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)25-34-33-24(39-25)23(38)31-22-8-10-36(11-12-37)15-18-13-17(5-6-20(18)22)21-7-9-28-26(32-21)30-19-14-29-35(4)16-19/h5-7,9,13-14,16,22,37H,8,10-12,15H2,1-4H3,(H,31,38)(H,28,30,32)	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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324276 (5-(tert-butyl)-N—((R)-8-(2-((1-methyl-1H-pyra...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)/t21-,24-/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
BIOGEN MA INC. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US10189829 (2019) BindingDB Entry DOI: 10.7270/Q2V69MP8
					More data for this Ligand-Target Pair

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