Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'liao' and Initial = 'g'   

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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM129823 (US8815926, 102) Show SMILES COc1ncc(-c2nc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1 |r| Show InChI InChI=1S/C26H24Cl2N6O4/c1-13(2)33-21-19(30-22(33)17-11-29-26(38-5)31-23(17)37-4)25(36)34(18-10-16(28)12-32(3)24(18)35)20(21)14-6-8-15(27)9-7-14/h6-13,20H,1-5H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Institute for Translational Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of MDM2 (unknown origin)				Eur J Med Chem 159: 1-9 (2018) Article DOI: 10.1016/j.ejmech.2018.09.044 BindingDB Entry DOI: 10.7270/Q2SB48FV
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50433561 (CHEMBL2381408) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)| Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Institute for Translational Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of MDM2 (unknown origin)				Eur J Med Chem 159: 1-9 (2018) Article DOI: 10.1016/j.ejmech.2018.09.044 BindingDB Entry DOI: 10.7270/Q2SB48FV
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50448936 (CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...) Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
International Institute for Translational Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of p53-MDM2 interaction (unknown origin) by HTRF assay				Eur J Med Chem 159: 1-9 (2018) Article DOI: 10.1016/j.ejmech.2018.09.044 BindingDB Entry DOI: 10.7270/Q2SB48FV
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50448969 (CHEMBL3125517 | US9296736, 256 | US9593129, Exampl...) Show SMILES CN(C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C29H34Cl2N2O5S/c1-29(16-26(34)35)15-24(20-4-3-5-22(31)14-20)27(19-8-10-21(30)11-9-19)33(28(29)36)25(18-6-7-18)17-32(2)39(37,38)23-12-13-23/h3-5,8-11,14,18,23-25,27H,6-7,12-13,15-17H2,1-2H3,(H,34,35)/t24-,25-,27-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
International Institute for Translational Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of p53-MDM2 interaction (unknown origin) by HTRF assay				Eur J Med Chem 159: 1-9 (2018) Article DOI: 10.1016/j.ejmech.2018.09.044 BindingDB Entry DOI: 10.7270/Q2SB48FV
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM418817 (N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571721 (CHEMBL4874046) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571706 (CHEMBL4850588) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571710 (CHEMBL4872224) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccc(Br)c3)n2)C(F)(F)F)cc1 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	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571708 (CHEMBL4873348) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccc(F)c3)n2)C(F)(F)F)cc1 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
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571711 (CHEMBL4860092) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccc(F)cc3)n2)C(F)(F)F)cc1 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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50467678 (Ds-3032 | Milademetan) Show SMILES CC1(C)CCC2(CC1)N[C@H]([C@H](c1ccnc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1CC[C@H](OC1)C(N)=O |r| Show InChI InChI=1S/C30H34Cl2FN5O4/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41)/t16-,20+,21+,23-,30-/m1/s1	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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
International Institute for Translational Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of MDM2 (unknown origin)				Eur J Med Chem 159: 1-9 (2018) Article DOI: 10.1016/j.ejmech.2018.09.044 BindingDB Entry DOI: 10.7270/Q2SB48FV
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571714 (CHEMBL4874518) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3OC)n2)C(F)(F)F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571709 (CHEMBL4853818) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccc(Cl)c3)n2)C(F)(F)F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571705 (CHEMBL4865567) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3F)n2)C(F)(F)F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571707 (CHEMBL4850002) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Br)n2)C(F)(F)F)cc1 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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542943 (CHEMBL4646293) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@@H](C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O6/c1-23-28(6-3-7-30(23)26-8-9-32-35(16-26)43-13-12-42-32)22-45-34-17-33(44-21-25-5-2-4-24(14-25)18-38)29(15-31(34)37)20-39-11-10-27(19-39)36(40)41/h2-9,14-17,27H,10-13,19-22H2,1H3,(H,40,41)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human C-terminal Ig-Fc-tagged PD1 (Leu25 to Gln167 residues) expressed in HEK293 cells/human C-terminal epitope-His-tagged PDL1 (Phe19 ...				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542943 (CHEMBL4646293) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@@H](C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O6/c1-23-28(6-3-7-30(23)26-8-9-32-35(16-26)43-13-12-42-32)22-45-34-17-33(44-21-25-5-2-4-24(14-25)18-38)29(15-31(34)37)20-39-11-10-27(19-39)36(40)41/h2-9,14-17,27H,10-13,19-22H2,1H3,(H,40,41)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542963 (CHEMBL4638650) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](CO)C(O)=O)cc2Cl)cccc1-c1ccccc1 |r| Show InChI InChI=1S/C32H29ClN2O5/c1-21-25(11-6-12-27(21)24-9-3-2-4-10-24)20-40-31-15-30(39-19-23-8-5-7-22(13-23)16-34)26(14-28(31)33)17-35-29(18-36)32(37)38/h2-15,29,35-36H,17-20H2,1H3,(H,37,38)/t29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542964 (CHEMBL4646486) Show SMILES C[C@H](O)[C@@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C33H31ClN2O5/c1-21-26(12-7-13-28(21)25-10-4-3-5-11-25)20-41-31-16-30(40-19-24-9-6-8-23(14-24)17-35)27(15-29(31)34)18-36-32(22(2)37)33(38)39/h3-16,22,32,36-37H,18-20H2,1-2H3,(H,38,39)/t22-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542966 (CHEMBL4635932) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C33H31ClN2O5/c1-21-26(12-7-13-28(21)25-10-4-3-5-11-25)20-41-31-16-30(40-19-24-9-6-8-23(14-24)17-35)27(15-29(31)34)18-36-32(22(2)37)33(38)39/h3-16,22,32,36-37H,18-20H2,1-2H3,(H,38,39)/t22-,32+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542978 (CHEMBL4648161) Show SMILES Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2ocnc2c1 Show InChI InChI=1S/C33H29ClN4O5/c1-20-23(5-4-6-26(20)22-7-8-29-28(13-22)37-19-43-29)18-42-31-14-30(41-17-21-9-10-36-25(11-21)15-35)24(12-27(31)34)16-38-33(2,3)32(39)40/h4-14,19,38H,16-18H2,1-3H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human C-terminal Ig-Fc-tagged PD1 (Leu25 to Gln167 residues) expressed in HEK293 cells/human C-terminal epitope-His-tagged PDL1 (Phe19 ...				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542976 (CHEMBL4636606 | US11535615, Example 1) Show SMILES Cc1c(Nc2cccc3cc(CNCCO)cnc23)cccc1-c1ccccc1 Show InChI InChI=1S/C25H25N3O/c1-18-22(20-7-3-2-4-8-20)10-6-11-23(18)28-24-12-5-9-21-15-19(16-26-13-14-29)17-27-25(21)24/h2-12,15,17,26,28-29H,13-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 resid...				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50239948 (CHEMBL4071326 | US9850225, Example 1166) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)C[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542949 (CHEMBL4646667) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@@H](O)C[C@@H]3CO)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H35ClN2O6/c1-23-27(6-3-7-31(23)26-8-9-33-36(14-26)43-11-10-42-33)22-45-35-16-34(44-21-25-5-2-4-24(12-25)17-38)28(13-32(35)37)18-39-19-30(41)15-29(39)20-40/h2-9,12-14,16,29-30,40-41H,10-11,15,18-22H2,1H3/t29-,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571718 (CHEMBL4849851) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3[N+]([O-])=O)n2)C(F)(F)F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542954 (CHEMBL4639202) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C33H31ClN2O4/c1-22-26(13-8-14-28(22)25-11-5-4-6-12-25)21-40-31-17-30(39-20-24-10-7-9-23(15-24)18-35)27(16-29(31)34)19-36-33(2,3)32(37)38/h4-17,36H,19-21H2,1-3H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human C-terminal Ig-Fc-tagged PD1 (Leu25 to Gln167 residues) expressed in HEK293 cells/human C-terminal epitope-His-tagged PDL1 (Phe19 ...				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542954 (CHEMBL4639202) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C33H31ClN2O4/c1-22-26(13-8-14-28(22)25-11-5-4-6-12-25)21-40-31-17-30(39-20-24-10-7-9-23(15-24)18-35)27(16-29(31)34)19-36-33(2,3)32(37)38/h4-17,36H,19-21H2,1-3H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542952 (CHEMBL4646568) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCC(O)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H33ClN2O5/c1-23-27(6-3-7-30(23)26-8-9-32-35(16-26)41-13-12-40-32)22-43-34-17-33(42-21-25-5-2-4-24(14-25)18-37)28(15-31(34)36)19-38-11-10-29(39)20-38/h2-9,14-17,29,39H,10-13,19-22H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542965 (CHEMBL4645569) Show SMILES C[C@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C33H31ClN2O5/c1-21-26(12-7-13-28(21)25-10-4-3-5-11-25)20-41-31-16-30(40-19-24-9-6-8-23(14-24)17-35)27(15-29(31)34)18-36-32(22(2)37)33(38)39/h3-16,22,32,36-37H,18-20H2,1-2H3,(H,38,39)/t22-,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542947 (CHEMBL4640374) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H31ClN2O6/c1-22-26(6-3-7-29(22)25-8-9-31-34(14-25)42-11-10-41-31)21-44-33-15-32(43-20-24-5-2-4-23(12-24)16-37)27(13-30(33)36)17-38-18-28(19-38)35(39)40/h2-9,12-15,28H,10-11,17-21H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt 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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542944 (CHEMBL4648149) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@@H](O)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H33ClN2O5/c1-23-27(6-3-7-30(23)26-8-9-32-35(16-26)41-13-12-40-32)22-43-34-17-33(42-21-25-5-2-4-24(14-25)18-37)28(15-31(34)36)19-38-11-10-29(39)20-38/h2-9,14-17,29,39H,10-13,19-22H2,1H3/t29-/m1/s1	PDB UniProtKB/SwissProt 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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542945 (CHEMBL4641441) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@H](C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O6/c1-23-28(6-3-7-30(23)26-8-9-32-35(16-26)43-13-12-42-32)22-45-34-17-33(44-21-25-5-2-4-24(14-25)18-38)29(15-31(34)37)20-39-11-10-27(19-39)36(40)41/h2-9,14-17,27H,10-13,19-22H2,1H3,(H,40,41)/t27-/m1/s1	PDB UniProtKB/SwissProt 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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50353128 (CHEMBL1231795) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition G9a (unknown origin)				Eur J Med Chem 179: 537-546 (2019) Article DOI: 10.1016/j.ejmech.2019.06.072 BindingDB Entry DOI: 10.7270/Q22J6G8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542951 (CHEMBL4639656) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(O)C(CO)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C36H35ClN2O6/c1-23-27(6-3-7-30(23)26-8-9-33-36(14-26)43-11-10-42-33)22-45-35-15-34(44-21-25-5-2-4-24(12-25)16-38)28(13-31(35)37)17-39-18-29(20-40)32(41)19-39/h2-9,12-15,29,32,40-41H,10-11,17-22H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50571721 (CHEMBL4874046) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1 Show InChI	PDB 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
TBA					Assay Description Inhibition of JAK2 (unknown origin) measured after 40 mins by HTRF				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50571721 (CHEMBL4874046) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1 Show InChI	PDB MMDB 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
TBA					Assay Description Inhibition of TRKA (unknown origin) measured after 40 mins by HTRF				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571727 (CHEMBL4869055) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(NS(C)(=O)=O)cc3)n2)C(F)(F)F)cc1 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
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50087289 (1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...) Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
International Institute for Translational Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of MDM2 (unknown origin)				Eur J Med Chem 159: 1-9 (2018) Article DOI: 10.1016/j.ejmech.2018.09.044 BindingDB Entry DOI: 10.7270/Q2SB48FV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50571721 (CHEMBL4874046) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JAK3 (unknown origin) measured after 40 mins by HTRF				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571726 (CHEMBL4877387) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(NC(C)=O)cc3)n2)C(F)(F)F)cc1 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	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50571721 (CHEMBL4874046) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1 Show InChI	PDB 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
TBA					Assay Description Inhibition of TYK2 (unknown origin) measured after 40 mins by HTRF				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571722 (CHEMBL4858762) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3cccc(OC)c3)n2)C(F)(F)F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM50571721 (CHEMBL4874046) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Pyk2 (unknown origin) measured after 40 mins by HTRF				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571719 (CHEMBL4863844) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(N)cc3)n2)C(F)(F)F)cc1 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	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542930 (CHEMBL4648618) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H33ClN2O6/c1-22-26(8-5-9-28(22)25-10-11-30-33(16-25)42-13-12-41-30)21-44-32-17-31(43-20-24-7-4-6-23(14-24)18-37)27(15-29(32)36)19-38-35(2,3)34(39)40/h4-11,14-17,38H,12-13,19-21H2,1-3H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542934 (CHEMBL4637912) Show SMILES CN(C)CCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N Show InChI InChI=1S/C35H36ClN3O4/c1-24-28(8-5-9-30(24)27-10-11-32-35(18-27)41-15-14-40-32)23-43-34-19-33(42-22-26-7-4-6-25(16-26)20-37)29(17-31(34)36)21-38-12-13-39(2)3/h4-11,16-19,38H,12-15,21-23H2,1-3H3	PDB UniProtKB/SwissProt 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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM418817 (N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TRKA (unknown origin) measured after 40 mins by HTRF				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542946 (CHEMBL4644097) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@H](O)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C35H33ClN2O5/c1-23-27(6-3-7-30(23)26-8-9-32-35(16-26)41-13-12-40-32)22-43-34-17-33(42-21-25-5-2-4-24(14-25)18-37)28(15-31(34)36)19-38-11-10-29(39)20-38/h2-9,14-17,29,39H,10-13,19-22H2,1H3/t29-/m0/s1	PDB UniProtKB/SwissProt 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
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM418817 (N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JAK2 (unknown origin) measured after 40 mins by HTRF				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50571715 (CHEMBL4849923) Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccc(OC)cc3)n2)C(F)(F)F)cc1 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
TBA					Assay Description Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113573 BindingDB Entry DOI: 10.7270/Q2125XFH
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 162 total )  |  Next  |  Last  >>

Jump to: