Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'neeper' and Initial = 'mp'   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11123 ((2S)-1-[(2S)-2-amino-3-[4-(2,4-difluorophenyl)phen...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H19F2N3O/c21-15-7-8-17(18(22)11-15)14-5-3-13(4-6-14)10-19(24)20(26)25-9-1-2-16(25)12-23/h3-8,11,16,19H,1-2,9-10,24H2/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	-49.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11121 ((2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H20FN3O/c21-17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(23)20(25)24-11-1-2-18(24)13-22/h3-10,18-19H,1-2,11-12,23H2/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10	-48.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11122 ((2S)-1-[(2S)-2-amino-3-[4-(2-fluorophenyl)phenyl]p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1F)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H20FN3O/c21-18-6-2-1-5-17(18)15-9-7-14(8-10-15)12-19(23)20(25)24-11-3-4-16(24)13-22/h1-2,5-10,16,19H,3-4,11-12,23H2/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30	-47.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11118 ((2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H21N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-13,22H2/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-45.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11119 ((2S)-1-[(2S)-2-amino-3-[4-(4-methylphenyl)phenyl]p...) Show SMILES Cc1ccc(cc1)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C21H23N3O/c1-15-4-8-17(9-5-15)18-10-6-16(7-11-18)13-20(23)21(25)24-12-2-3-19(24)14-22/h4-11,19-20H,2-3,12-13,23H2,1H3/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-43.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11120 ((2S)-1-[(2S)-2-amino-3-[4-(3,4-dimethoxyphenyl)phe...) Show SMILES COc1ccc(cc1OC)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C22H25N3O3/c1-27-20-10-9-17(13-21(20)28-2)16-7-5-15(6-8-16)12-19(24)22(26)25-11-3-4-18(25)14-23/h5-10,13,18-19H,3-4,11-12,24H2,1-2H3/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	-43.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11113 (6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	27	-43.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11116 ((2S)-1-[(2S)-2-amino-3-(4-iodophenyl)propanoyl]pyr...) Show SMILES N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C14H16IN3O/c15-11-5-3-10(4-6-11)8-13(17)14(19)18-7-1-2-12(18)9-16/h3-6,12-13H,1-2,7-8,17H2/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	-42.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11124 ((2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propa...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccco1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H19N3O2/c19-12-15-3-1-9-21(15)18(22)16(20)11-13-5-7-14(8-6-13)17-4-2-10-23-17/h2,4-8,10,15-16H,1,3,9,11,20H2/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	-42.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11115 ((2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C14H17N3O/c15-10-12-7-4-8-17(12)14(18)13(16)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-9,16H2/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	-41.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11136 ((2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C18H18F2N2OS/c19-14-5-6-15(16(20)10-14)13-3-1-12(2-4-13)9-17(21)18(23)22-7-8-24-11-22/h1-6,10,17H,7-9,11,21H2/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	96	-40.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11134 (4-{4-[(2S)-2-amino-3-oxo-3-(1,3-thiazolidin-3-yl)p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C19H19N3OS/c20-12-15-3-7-17(8-4-15)16-5-1-14(2-6-16)11-18(21)19(23)22-9-10-24-13-22/h1-8,18H,9-11,13,21H2/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-38.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11133 (3-{4-[(2S)-2-amino-3-oxo-3-(1,3-thiazolidin-3-yl)p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(O)=O)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C19H20N2O3S/c20-17(18(22)21-8-9-25-12-21)10-13-4-6-14(7-5-13)15-2-1-3-16(11-15)19(23)24/h1-7,11,17H,8-10,12,20H2,(H,23,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	166	-38.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11135 ((2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-t...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C18H19FN2OS/c19-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(20)18(22)21-9-10-23-12-21/h1-8,17H,9-12,20H2/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	-38.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11132 (4-{4-[(2S)-2-amino-3-oxo-3-(1,3-thiazolidin-3-yl)p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C19H20N2O3S/c20-17(18(22)21-9-10-25-12-21)11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)19(23)24/h1-8,17H,9-12,20H2,(H,23,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	310	-37.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11131 ((2S)-2-amino-3-[4-(pyridin-2-yl)phenyl]-1-(1,3-thi...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccn1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C17H19N3OS/c18-15(17(21)20-9-10-22-12-20)11-13-4-6-14(7-5-13)16-3-1-2-8-19-16/h1-8,15H,9-12,18H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	355	-36.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11125 ((2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C18H20N2OS/c19-17(18(21)20-10-11-22-13-20)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13,19H2/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	360	-36.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11117 (4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-...) Show SMILES N[C@@H](Cc1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H17N3O3/c16-9-12-2-1-7-18(12)14(19)13(17)8-10-3-5-11(6-4-10)15(20)21/h3-6,12-13H,1-2,7-8,17H2,(H,20,21)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	470	-36.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11130 ((2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3...) Show SMILES N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C12H15IN2OS/c13-10-3-1-9(2-4-10)7-11(14)12(16)15-5-6-17-8-15/h1-4,11H,5-8,14H2/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	980	-34.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11126 ((2S)-2-amino-3-(4-phenylphenyl)-1-(pyrrolidin-1-yl...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C19H22N2O/c20-18(19(22)21-12-4-5-13-21)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11,18H,4-5,12-14,20H2/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	-33.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11137 ((2S)-2-amino-3-(naphthalen-2-yl)-1-(1,3-thiazolidi...) Show SMILES N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C16H18N2OS/c17-15(16(19)18-7-8-20-11-18)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11,17H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	-28.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11128 ((2S)-2-amino-1-[(2S)-2-[(benzyloxy)methyl]pyrrolid...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1COCc1ccccc1 |r| Show InChI InChI=1S/C27H30N2O2/c28-26(18-21-13-15-24(16-14-21)23-10-5-2-6-11-23)27(30)29-17-7-12-25(29)20-31-19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25-26H,7,12,17-20,28H2/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11129 ((2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-...) Show SMILES CC1(C)OCCN1C(=O)[C@@H](N)Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O2/c1-20(2)22(12-13-24-20)19(23)18(21)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,12-14,21H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11138 ((2S)-2-amino-3-(naphthalen-1-yl)-1-(1,3-thiazolidi...) Show SMILES N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C16H18N2OS/c17-15(16(19)18-8-9-20-11-18)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,15H,8-11,17H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11139 ((2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazolidin-...) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C14H17N3OS/c15-12(14(18)17-5-6-19-9-17)7-10-8-16-13-4-2-1-3-11(10)13/h1-4,8,12,16H,5-7,9,15H2/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11127 ((2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C20H24N2O2/c21-19(20(24)22-12-4-7-18(22)14-23)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19,23H,4,7,12-14,21H2/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465794 (CHEMBL4288564) Show SMILES CCN(CC)c1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C28H36ClN3O/c1-7-31(8-2)24-11-9-10-12-25(24)32-26(20-13-15-22(29)16-14-20)17-23(30-32)21-18-27(3,4)33-28(5,6)19-21/h9-17,21H,7-8,18-19H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465792 (CHEMBL4279774) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465788 (CHEMBL4292697) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(cc1)C#N)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C26H29N3O2/c1-25(2)15-20(16-26(3,4)31-25)21-14-23(19-12-10-18(17-27)11-13-19)29(28-21)22-8-6-7-9-24(22)30-5/h6-14,20H,15-16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465796 (CHEMBL4290426) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CCOC(C)(C)C1 Show InChI InChI=1S/C23H25ClN2O2/c1-23(2)15-17(12-13-28-23)19-14-21(16-8-10-18(24)11-9-16)26(25-19)20-6-4-5-7-22(20)27-3/h4-11,14,17H,12-13,15H2,1-3H3	PDB UniProtKB/SwissProt 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
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465791 (CHEMBL4289288) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1C[C@H](C)O[C@@H](C)C1 |r| Show InChI InChI=1S/C23H25ClN2O2/c1-15-12-18(13-16(2)28-15)20-14-22(17-8-10-19(24)11-9-17)26(25-20)21-6-4-5-7-23(21)27-3/h4-11,14-16,18H,12-13H2,1-3H3/t15-,16-/m0/s1	PDB UniProtKB/SwissProt 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
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50272844 (5-(Dimethyl-hydrazonomethyl)-N-[1-(3-fluoro-benzyl...) Show SMILES CN(C)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 Show InChI InChI=1S/C21H21FN8/c1-29(2)26-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-27-30(19)12-14-4-3-5-16(22)8-14/h3-11,13H,12H2,1-2H3,(H3,23,24,25,28)/b26-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ErbB2				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465800 (CHEMBL4282095) Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C27H34N2O3/c1-7-31-21-14-12-19(13-15-21)24-16-22(20-17-26(2,3)32-27(4,5)18-20)28-29(24)23-10-8-9-11-25(23)30-6/h8-16,20H,7,17-18H2,1-6H3	PDB UniProtKB/SwissProt 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
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465789 (CHEMBL4293756) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1=CC(C)(C)OC(C)(C)C1 |t:23| Show InChI InChI=1S/C25H27ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-15H,16H2,1-5H3	PDB UniProtKB/SwissProt 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
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465798 (CHEMBL4278633) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C23H25ClN2O2/c1-15-12-18(13-16(2)28-15)20-14-22(17-8-10-19(24)11-9-17)26(25-20)21-6-4-5-7-23(21)27-3/h4-11,14-16,18H,12-13H2,1-3H3/t15-,16+,18+	PDB UniProtKB/SwissProt 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
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50377274 (CHEMBL402294) Show SMILES CCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 Show InChI InChI=1S/C21H20FN7O/c1-2-30-27-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-26-29(19)12-14-4-3-5-16(22)8-14/h3-11,13H,2,12H2,1H3,(H3,23,24,25,28)/b27-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 3495-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.024 BindingDB Entry DOI: 10.7270/Q21G0N5V
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465786 (CHEMBL4283590) Show SMILES CCOc1ccc(cn1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C26H33N3O3/c1-7-31-24-13-12-18(17-27-24)22-14-20(19-15-25(2,3)32-26(4,5)16-19)28-29(22)21-10-8-9-11-23(21)30-6/h8-14,17,19H,7,15-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465793 (CHEMBL4277584) Show SMILES COc1ccccc1-n1nc(cc1-c1csc(Cl)c1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C23H27ClN2O2S/c1-22(2)12-16(13-23(3,4)28-22)17-11-19(15-10-21(24)29-14-15)26(25-17)18-8-6-7-9-20(18)27-5/h6-11,14,16H,12-13H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465802 (CHEMBL4294178) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(C)nc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H31N3O2/c1-17-11-12-18(16-26-17)22-13-20(19-14-24(2,3)30-25(4,5)15-19)27-28(22)21-9-7-8-10-23(21)29-6/h7-13,16,19H,14-15H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50377285 (CHEMBL255237) Show SMILES COCCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 Show InChI InChI=1S/C22H22FN7O2/c1-31-7-8-32-28-12-19-21(24)25-14-26-22(19)29-18-5-6-20-16(10-18)11-27-30(20)13-15-3-2-4-17(23)9-15/h2-6,9-12,14H,7-8,13H2,1H3,(H3,24,25,26,29)/b28-12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 18: 3495-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.024 BindingDB Entry DOI: 10.7270/Q21G0N5V
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465801 (CHEMBL4291986) Show SMILES CC1(C)CC(CC(C)(C)O1)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccncc1 Show InChI InChI=1S/C23H26ClN3O/c1-22(2)14-17(15-23(3,4)28-22)20-13-21(16-5-7-18(24)8-6-16)27(26-20)19-9-11-25-12-10-19/h5-13,17H,14-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50272845 (CHEMBL498133 | N-[1-(3-Fluoro-benzyl)-1H-indazol-5...) Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCOCC1 Show InChI InChI=1S/C23H23FN8O/c24-18-3-1-2-16(10-18)14-32-21-5-4-19(11-17(21)12-29-32)30-23-20(22(25)26-15-27-23)13-28-31-6-8-33-9-7-31/h1-5,10-13,15H,6-9,14H2,(H3,25,26,27,30)/b28-13+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ErbB2				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50377274 (CHEMBL402294) Show SMILES CCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 Show InChI InChI=1S/C21H20FN7O/c1-2-30-27-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-26-29(19)12-14-4-3-5-16(22)8-14/h3-11,13H,2,12H2,1H3,(H3,23,24,25,28)/b27-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 18: 3495-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.024 BindingDB Entry DOI: 10.7270/Q21G0N5V
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM50465795 (CHEMBL4285527) Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1CCO[C@@H](C1)C(C)C |r| Show InChI InChI=1S/C24H27ClN2O2/c1-16(2)24-14-18(12-13-29-24)20-15-22(17-8-10-19(25)11-9-17)27(26-20)21-6-4-5-7-23(21)28-3/h4-11,15-16,18,24H,12-14H2,1-3H3/t18-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...				Bioorg Med Chem Lett 28: 3780-3783 (2018) Article DOI: 10.1016/j.bmcl.2018.10.007 BindingDB Entry DOI: 10.7270/Q2571FP9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50272844 (5-(Dimethyl-hydrazonomethyl)-N-[1-(3-fluoro-benzyl...) Show SMILES CN(C)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 Show InChI InChI=1S/C21H21FN8/c1-29(2)26-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-27-30(19)12-14-4-3-5-16(22)8-14/h3-11,13H,12H2,1-2H3,(H3,23,24,25,28)/b26-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human EGFR expressed in SF9 cells				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50240214 (4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-amin...) Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 3495-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.024 BindingDB Entry DOI: 10.7270/Q21G0N5V
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50240214 (4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-amin...) Show SMILES CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 Show InChI InChI=1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human EGFR expressed in SF9 cells				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50272881 (2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1 Show InChI InChI=1S/C25H28FN9O/c26-20-3-1-2-18(12-20)16-35-23-5-4-21(13-19(23)14-31-35)32-25-22(24(27)28-17-29-25)15-30-34-8-6-33(7-9-34)10-11-36/h1-5,12-15,17,36H,6-11,16H2,(H3,27,28,29,32)/b30-15+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ErbB2				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50272847 (CHEMBL498134 | N4-(1-(3-fluorobenzyl)-1H-indazol-5...) Show SMILES CN1CCN(CC1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 Show InChI InChI=1S/C24H26FN9/c1-32-7-9-33(10-8-32)29-14-21-23(26)27-16-28-24(21)31-20-5-6-22-18(12-20)13-30-34(22)15-17-3-2-4-19(25)11-17/h2-6,11-14,16H,7-10,15H2,1H3,(H3,26,27,28,31)/b29-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ErbB2				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50272881 (2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1 Show InChI InChI=1S/C25H28FN9O/c26-20-3-1-2-18(12-20)16-35-23-5-4-21(13-19(23)14-31-35)32-25-22(24(27)28-17-29-25)15-30-34-8-6-33(7-9-34)10-11-36/h1-5,12-15,17,36H,6-11,16H2,(H3,27,28,29,32)/b30-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human EGFR expressed in SF9 cells				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair

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