Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'allentoff' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of His-tagged BTK (unknown origin) after 1.5 hrs by HTRF analysis				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of His-tagged BTK (unknown origin) after 1.5 hrs by HTRF analysis				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166831 (US10604504, Example 242 | US11623921, Example 242 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |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	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165319 (US10604504, Example 115 | US11623921, Example 115 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in TNFalpha expression				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human peripheral B cells assessed as reduction in CD86 surface expression				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165320 (US10604504, Example 116 | US11623921, Example 116 ...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)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	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165463 (US10604504, Example 141 | US11623921, Example 141 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165318 (US10604504, Example 114 | US11623921, Example 114 ...) Show SMILES Cc1[nH]c2c(ccc(NC3CCN(CC3)C(=O)C#C)c2c1C)C(N)=O Show InChI InChI=1S/C19H22N4O2/c1-4-16(24)23-9-7-13(8-10-23)22-15-6-5-14(19(20)25)18-17(15)11(2)12(3)21-18/h1,5-6,13,21-22H,7-10H2,2-3H3,(H2,20,25)	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	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Tec (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of TEC (unknown origin)				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human memory B cells assessed as reduction in CD86 surface expression				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165465 (US10604504, Example 143 | US11623921, Example 143 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165321 (US10604504, Example 117 | US11623921, Example 117 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@H](C3)NC(=O)C#C)c2c1C)C(N)=O |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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165461 (US10604504, Example 139 | US11623921, Example 139 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCCC(C3)NS(=O)(=O)C=C)c2c1C)C(N)=O 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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BMX (unknown origin)				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166831 (US10604504, Example 242 | US11623921, Example 242 ...) Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50540957 (CHEMBL4640555) Show SMILES Cc1[nH]c2c(ccc(N[C@H]3CCN(C3)C(=O)C=C)c2c1C)C(N)=O |r| Show InChI InChI=1S/C18H22N4O2/c1-4-15(23)22-8-7-12(9-22)21-14-6-5-13(18(19)24)17-16(14)10(2)11(3)20-17/h4-6,12,20-21H,1,7-9H2,2-3H3,(H2,19,24)/t12-/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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50540958 (CHEMBL4649284) Show SMILES Cc1[nH]c2c(ccc(N[C@H]3CCN(C3)C(=O)C#C)c2c1C)C(N)=O |r| Show InChI InChI=1S/C18H20N4O2/c1-4-15(23)22-8-7-12(9-22)21-14-6-5-13(18(19)24)17-16(14)10(2)11(3)20-17/h1,5-6,12,20-21H,7-9H2,2-3H3,(H2,19,24)/t12-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165287 (US10604504, Example 83 | US11623921, Example 83 | ...) Show SMILES Cc1[nH]c2c(ccc(N3CCCC(C3)NC(=O)C=C)c2c1C)C(N)=O 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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165283 (US10604504, Example 93 | US11623921, Example 79 | ...) Show SMILES Cc1[nH]c2c(ccc(NC3CCN(CC3)C(=O)C=C)c2c1C)C(N)=O Show InChI InChI=1S/C19H24N4O2/c1-4-16(24)23-9-7-13(8-10-23)22-15-6-5-14(19(20)25)18-17(15)11(2)12(3)21-18/h4-6,13,21-22H,1,7-10H2,2-3H3,(H2,20,25)	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165462 (US10604504, Example 140 | US11623921, Example 140 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC(C3)NS(=O)(=O)C=C)c2c1C)C(N)=O 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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165286 (US10604504, Example 82 | US11623921, Example 82 | ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC(C3)NC(=O)C=C)c2c1C)C(N)=O 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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of TXK (unknown origin)				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165323 (US10604504, Example 119 | US11623921, Example 119 ...) Show SMILES Cc1[nH]c2c(ccc(N3CC[C@H](C3)NC(=O)C#C)c2c1C)C(N)=O |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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50540957 (CHEMBL4640555) Show SMILES Cc1[nH]c2c(ccc(N[C@H]3CCN(C3)C(=O)C=C)c2c1C)C(N)=O |r| Show InChI InChI=1S/C18H22N4O2/c1-4-15(23)22-8-7-12(9-22)21-14-6-5-13(18(19)24)17-16(14)10(2)11(3)20-17/h4-6,12,20-21H,1,7-9H2,2-3H3,(H2,19,24)/t12-/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	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165323 (US10604504, Example 119 | US11623921, Example 119 ...) Show SMILES Cc1[nH]c2c(ccc(N3CC[C@H](C3)NC(=O)C#C)c2c1C)C(N)=O |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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165291 (US10604504, Example 87 | US11623921, Example 87 | ...) Show SMILES Cc1[nH]c2c(ccc(N[C@@H]3CCN(C3)C(=O)C=C)c2c1C)C(N)=O |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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50540958 (CHEMBL4649284) Show SMILES Cc1[nH]c2c(ccc(N[C@H]3CCN(C3)C(=O)C#C)c2c1C)C(N)=O |r| Show InChI InChI=1S/C18H20N4O2/c1-4-15(23)22-8-7-12(9-22)21-14-6-5-13(18(19)24)17-16(14)10(2)11(3)20-17/h1,5-6,12,20-21H,7-9H2,2-3H3,(H2,19,24)/t12-/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	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM164638 (BDBM166759 | US10604504, Example 223 | US11623921,...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human peripheral B cells assessed as reduction in CD69 surface expression by whole blood assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165463 (US10604504, Example 141 | US11623921, Example 141 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |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	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165318 (US10604504, Example 114 | US11623921, Example 114 ...) Show SMILES Cc1[nH]c2c(ccc(NC3CCN(CC3)C(=O)C#C)c2c1C)C(N)=O Show InChI InChI=1S/C19H22N4O2/c1-4-16(24)23-9-7-13(8-10-23)22-15-6-5-14(19(20)25)18-17(15)11(2)12(3)21-18/h1,5-6,13,21-22H,7-10H2,2-3H3,(H2,20,25)	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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165319 (US10604504, Example 115 | US11623921, Example 115 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |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	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165463 (US10604504, Example 141 | US11623921, Example 141 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |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	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood cells after 120 mins by ELISA				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR-2				Drug Metab Dispos 39: 891-903 (2011) Article DOI: 10.1124/dmd.110.037341 BindingDB Entry DOI: 10.7270/Q2F191FN
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50088495 (CHEMBL3527569) Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OS(O)(=O)=O |r| Show InChI InChI=1S/C19H19FN4O6S/c1-10-6-13-14(23-10)4-5-15(17(13)20)29-19-18-12(3)16(7-24(18)22-9-21-19)28-8-11(2)30-31(25,26)27/h4-7,9,11,23H,8H2,1-3H3,(H,25,26,27)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant FGFR-1				Drug Metab Dispos 39: 891-903 (2011) Article DOI: 10.1124/dmd.110.037341 BindingDB Entry DOI: 10.7270/Q2F191FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165321 (US10604504, Example 117 | US11623921, Example 117 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@H](C3)NC(=O)C#C)c2c1C)C(N)=O |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	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50088495 (CHEMBL3527569) Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OS(O)(=O)=O |r| Show InChI InChI=1S/C19H19FN4O6S/c1-10-6-13-14(23-10)4-5-15(17(13)20)29-19-18-12(3)16(7-24(18)22-9-21-19)28-8-11(2)30-31(25,26)27/h4-7,9,11,23H,8H2,1-3H3,(H,25,26,27)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant VEGFR-2				Drug Metab Dispos 39: 891-903 (2011) Article DOI: 10.1124/dmd.110.037341 BindingDB Entry DOI: 10.7270/Q2F191FN
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant FGFR-1				Drug Metab Dispos 39: 891-903 (2011) Article DOI: 10.1124/dmd.110.037341 BindingDB Entry DOI: 10.7270/Q2F191FN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165465 (US10604504, Example 143 | US11623921, Example 143 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |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	28	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165310 (US10604504, Example 106 | US11623921, Example 106 ...) Show SMILES Cc1[nH]c2c(ccc(NC3CCCN(C3)C(=O)C#C)c2c1C)C(N)=O 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	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER4 (unknown origin)				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER1 (unknown origin)				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165461 (US10604504, Example 139 | US11623921, Example 139 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCCC(C3)NS(=O)(=O)C=C)c2c1C)C(N)=O 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	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165320 (US10604504, Example 116 | US11623921, Example 116 ...) Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)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	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165283 (US10604504, Example 93 | US11623921, Example 79 | ...) Show SMILES Cc1[nH]c2c(ccc(NC3CCN(CC3)C(=O)C=C)c2c1C)C(N)=O Show InChI InChI=1S/C19H24N4O2/c1-4-16(24)23-9-7-13(8-10-23)22-15-6-5-14(19(20)25)18-17(15)11(2)12(3)21-18/h4-6,13,21-22H,1,7-10H2,2-3H3,(H2,20,25)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165463 (US10604504, Example 141 | US11623921, Example 141 ...) Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |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	47	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood cells after 1 hr by ELISA				J Med Chem 62: 3228-3250 (2019) Article DOI: 10.1021/acs.jmedchem.9b00167 BindingDB Entry DOI: 10.7270/Q2ZK5M66
					More data for this Ligand-Target Pair

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