Compile Data Set for Download or QSAR

Found 1767 hits with Last Name = 'burke' and Initial = 'tr'   

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
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM83449 (1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...) Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to sigma site of Phencyclidine receptor by displacement of [3H]-(+)-SKF- 10,047				J Med Chem 31: 1571-5 (1988) BindingDB Entry DOI: 10.7270/Q2WD41S2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50071330 (CHEMBL2369450 | c(S-CH2-Ac-Asp-Ala-Asp-Glu-FOMT-Le...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OC(F)(C(O)=O)C(O)=O)cc2)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)CSCC(NC1=O)C(N)=O Show InChI InChI=1S/C39H51FN8O19S/c1-16(2)10-21-34(60)48-25(30(41)56)14-68-15-26(49)43-23(12-28(52)53)33(59)42-17(3)31(57)45-24(13-29(54)55)36(62)44-20(8-9-27(50)51)32(58)47-22(35(61)46-21)11-18-4-6-19(7-5-18)67-39(40,37(63)64)38(65)66/h4-7,16-17,20-25H,8-15H2,1-3H3,(H2,41,56)(H,42,59)(H,43,49)(H,44,62)(H,45,57)(H,46,61)(H,47,58)(H,48,60)(H,50,51)(H,52,53)(H,54,55)(H,63,64)(H,65,66)/t17-,20-,21+,22+,23+,24+,25?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against protein-tyrosine phosphatase 1B (PTP1B)				Bioorg Med Chem Lett 8: 2149-50 (1999) BindingDB Entry DOI: 10.7270/Q27M0737
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103243 (4-{2-[2-(2-Acetylamino-3-carboxy-propionylamino)-p...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)C(CC(O)=O)NC(C)=O)C(N)=O Show InChI InChI=1S/C34H48F2N7O16P/c1-15(2)11-21(28(37)51)41-32(55)22(12-18-5-7-19(8-6-18)34(35,36)60(57,58)59)43-30(53)20(9-10-25(45)46)40-33(56)24(14-27(49)50)42-29(52)16(3)38-31(54)23(13-26(47)48)39-17(4)44/h5-8,15-16,20-24H,9-14H2,1-4H3,(H2,37,51)(H,38,54)(H,39,44)(H,40,56)(H,41,55)(H,42,52)(H,43,53)(H,45,46)(H,47,48)(H,49,50)(H2,57,58,59)/t16?,20?,21?,22-,23?,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM83449 (1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...) Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to sigma site of Phencyclidine receptor by displacement of [3H]-(+)-SKF- 10,047				J Med Chem 31: 1571-5 (1988) BindingDB Entry DOI: 10.7270/Q2WD41S2
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50405724 (CHEMBL1169565) Show SMILES C1C2CC(CC12)[C@H](N1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C18H25N/c1-3-7-14(8-4-1)18(19-9-5-2-6-10-19)17-12-15-11-16(15)13-17/h1,3-4,7-8,15-18H,2,5-6,9-13H2/t15?,16?,17?,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity of compound against Phencyclidine receptor by displacement of [3H]TCP				J Med Chem 31: 1571-5 (1988) BindingDB Entry DOI: 10.7270/Q2WD41S2
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50405723 (CHEMBL1169564) Show SMILES C1C2CC(CC12)[C@@H](N1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C18H25N/c1-3-7-14(8-4-1)18(19-9-5-2-6-10-19)17-12-15-11-16(15)13-17/h1,3-4,7-8,15-18H,2,5-6,9-13H2/t15?,16?,17?,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity of compound against Phencyclidine receptor by displacement of [3H]TCP				J Med Chem 31: 1571-5 (1988) BindingDB Entry DOI: 10.7270/Q2WD41S2
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50405723 (CHEMBL1169564) Show SMILES C1C2CC(CC12)[C@@H](N1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C18H25N/c1-3-7-14(8-4-1)18(19-9-5-2-6-10-19)17-12-15-11-16(15)13-17/h1,3-4,7-8,15-18H,2,5-6,9-13H2/t15?,16?,17?,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to sigma site of Phencyclidine receptor by displacement of [3H]-(+)-SKF- 10,047				J Med Chem 31: 1571-5 (1988) BindingDB Entry DOI: 10.7270/Q2WD41S2
					More data for this Ligand-Target Pair
Tumor susceptibility gene 101 protein (Homo sapiens (Human))	BDBM50362892 (CHEMBL1946564) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc-2c(Cc3ccccc-23)c1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C58H75N11O18/c1-30(56(84)68-24-8-13-44(68)58(86)67-23-7-12-43(67)53(81)63-40(17-20-47(74)75)51(79)62-39(50(59)78)16-19-46(72)73)61-55(83)49(31(2)70)65-54(82)45-27-36(87-60-28-33-14-15-38-35(25-33)26-34-9-4-5-10-37(34)38)29-69(45)57(85)41(18-21-48(76)77)64-52(80)42-11-6-22-66(42)32(3)71/h4-5,9-10,14-15,25,28,30-31,36,39-45,49,70H,6-8,11-13,16-24,26-27,29H2,1-3H3,(H2,59,78)(H,61,83)(H,62,79)(H,63,81)(H,64,80)(H,65,82)(H,72,73)(H,74,75)(H,76,77)/b60-28+/t30-,31+,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...				ACS Med Chem Lett 2: 337-341 (2011) Article DOI: 10.1021/ml1002579 BindingDB Entry DOI: 10.7270/Q22B8ZF4
					More data for this Ligand-Target Pair
Tumor susceptibility gene 101 protein (Homo sapiens (Human))	BDBM50362891 (CHEMBL1946260) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C59H75N11O22/c1-30(56(85)69-24-6-9-42(69)58(87)68-23-5-8-41(68)53(82)64-38(16-20-47(75)76)51(80)63-37(50(60)79)15-19-46(73)74)62-55(84)49(31(2)71)66-54(83)43-26-36(28-70(43)57(86)39(17-21-48(77)78)65-52(81)40-7-4-22-67(40)32(3)72)92-61-27-33-10-13-35(14-11-33)91-59(88)34-12-18-44-45(25-34)90-29-89-44/h10-14,18,25,27,30-31,36-43,49,71H,4-9,15-17,19-24,26,28-29H2,1-3H3,(H2,60,79)(H,62,84)(H,63,80)(H,64,82)(H,65,81)(H,66,83)(H,73,74)(H,75,76)(H,77,78)/b61-27+/t30-,31+,36+,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...				ACS Med Chem Lett 2: 337-341 (2011) Article DOI: 10.1021/ml1002579 BindingDB Entry DOI: 10.7270/Q22B8ZF4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2C (Rattus norvegicus (Rat))	BDBM50405724 (CHEMBL1169565) Show SMILES C1C2CC(CC12)[C@H](N1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C18H25N/c1-3-7-14(8-4-1)18(19-9-5-2-6-10-19)17-12-15-11-16(15)13-17/h1,3-4,7-8,15-18H,2,5-6,9-13H2/t15?,16?,17?,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity to sigma site of Phencyclidine receptor by displacement of [3H]-(+)-SKF- 10,047				J Med Chem 31: 1571-5 (1988) BindingDB Entry DOI: 10.7270/Q2WD41S2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103235 (5-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(C)NC(=O)C(CC(O)=O)NC(C)=O)C(N)=O Show InChI InChI=1S/C36H49N7O18/c1-15(2)9-21(30(37)53)41-34(57)22(11-18-5-7-25(61-14-29(51)52)19(10-18)36(59)60)43-32(55)20(6-8-26(45)46)40-35(58)24(13-28(49)50)42-31(54)16(3)38-33(56)23(12-27(47)48)39-17(4)44/h5,7,10,15-16,20-24H,6,8-9,11-14H2,1-4H3,(H2,37,53)(H,38,56)(H,39,44)(H,40,58)(H,41,57)(H,42,54)(H,43,55)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,59,60)/t16?,20?,21?,22-,23?,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tumor susceptibility gene 101 protein (Homo sapiens (Human))	BDBM50362890 (CHEMBL1946259) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc(o1)-c1nc2ccccc2s1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C56H72N12O19S/c1-28(54(83)67-24-8-12-39(67)56(85)66-23-7-11-38(66)50(80)61-35(16-20-44(73)74)48(78)60-34(47(57)77)15-19-43(71)72)59-52(82)46(29(2)69)64-51(81)40-25-32(87-58-26-31-14-18-41(86-31)53-63-33-9-4-5-13-42(33)88-53)27-68(40)55(84)36(17-21-45(75)76)62-49(79)37-10-6-22-65(37)30(3)70/h4-5,9,13-14,18,26,28-29,32,34-40,46,69H,6-8,10-12,15-17,19-25,27H2,1-3H3,(H2,57,77)(H,59,82)(H,60,78)(H,61,80)(H,62,79)(H,64,81)(H,71,72)(H,73,74)(H,75,76)/b58-26+/t28-,29+,32+,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...				ACS Med Chem Lett 2: 337-341 (2011) Article DOI: 10.1021/ml1002579 BindingDB Entry DOI: 10.7270/Q22B8ZF4
					More data for this Ligand-Target Pair
Tumor susceptibility gene 101 protein (Homo sapiens (Human))	BDBM50362889 (CHEMBL1946129) Show SMILES COc1ccc(\C=N\O[C@@H]2C[C@H](N(C2)C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1OC |r| Show InChI InChI=1S/C53H75N11O20/c1-27(51(79)63-22-8-11-37(63)53(81)62-21-7-10-36(62)48(76)58-33(14-18-42(69)70)46(74)57-32(45(54)73)13-17-41(67)68)56-50(78)44(28(2)65)60-49(77)38-24-31(84-55-25-30-12-16-39(82-4)40(23-30)83-5)26-64(38)52(80)34(15-19-43(71)72)59-47(75)35-9-6-20-61(35)29(3)66/h12,16,23,25,27-28,31-38,44,65H,6-11,13-15,17-22,24,26H2,1-5H3,(H2,54,73)(H,56,78)(H,57,74)(H,58,76)(H,59,75)(H,60,77)(H,67,68)(H,69,70)(H,71,72)/b55-25+/t27-,28+,31+,32-,33-,34-,35-,36-,37-,38-,44-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...				ACS Med Chem Lett 2: 337-341 (2011) Article DOI: 10.1021/ml1002579 BindingDB Entry DOI: 10.7270/Q22B8ZF4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103240 (4-Carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naph...) Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C17H17F2N2O7P/c18-17(19,29(26,27)28)12-4-3-9-7-11(2-1-10(9)8-12)16(25)21-13(15(20)24)5-6-14(22)23/h1-4,7-8,13H,5-6H2,(H2,20,24)(H,21,25)(H,22,23)(H2,26,27,28)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50050961 (2-{4-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamin...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O Show InChI InChI=1S/C36H49N7O18/c1-15(2)11-21(29(37)51)41-33(55)22(12-18-5-7-19(8-6-18)61-28(35(57)58)36(59)60)43-31(53)20(9-10-25(45)46)40-34(56)24(14-27(49)50)42-30(52)16(3)38-32(54)23(13-26(47)48)39-17(4)44/h5-8,15-16,20-24,28H,9-14H2,1-4H3,(H2,37,51)(H,38,54)(H,39,44)(H,40,56)(H,41,55)(H,42,52)(H,43,53)(H,45,46)(H,47,48)(H,49,50)(H,57,58)(H,59,60)/t16-,20-,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against protein-tyrosine phosphatase 1B (PTP1B)				Bioorg Med Chem Lett 8: 2149-50 (1999) BindingDB Entry DOI: 10.7270/Q27M0737
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50132237 (CHEMBL320852 | [Difluoro-(6-methanesulfonylaminoca...) Show SMILES CS(=O)(=O)NC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C13H12F2NO6PS/c1-24(21,22)16-12(17)10-3-2-9-7-11(5-4-8(9)6-10)13(14,15)23(18,19)20/h2-7H,1H3,(H,16,17)(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIH Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human Protein-tyrosine phosphatase 1B was determined				Bioorg Med Chem Lett 13: 3005-7 (2003) BindingDB Entry DOI: 10.7270/Q22F7MV1
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103227 (6-(Difluoro-phosphono-methyl)-naphthalene-2-carbox...) Show SMILES OC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103227 (6-(Difluoro-phosphono-methyl)-naphthalene-2-carbox...) Show SMILES OC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIH Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human Protein-tyrosine phosphatase 1B was determined				Bioorg Med Chem Lett 13: 3005-7 (2003) BindingDB Entry DOI: 10.7270/Q22F7MV1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131098 (2-(4-{2-((S)-1-(S)-Carbamoyl-3-methyl-butylcarbamo...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12)C(N)=O Show InChI InChI=1S/C38H42N4O12/c1-20(2)17-29(33(39)45)40-35(47)30(18-21-11-13-22(14-12-21)54-32(36(48)49)37(50)51)41-34(46)28(15-16-31(43)44)42-38(52)53-19-27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-14,20,27-30,32H,15-19H2,1-2H3,(H2,39,45)(H,40,47)(H,41,46)(H,42,52)(H,43,44)(H,48,49)(H,50,51)/t28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory potency against human Protein-tyrosine phosphatase 1B expressed in E. coli BL21 (DE3) cells				Bioorg Med Chem Lett 13: 2577-81 (2003) BindingDB Entry DOI: 10.7270/Q2QC02VZ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075312 ((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...) Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIH Curated by ChEMBL					Assay Description Binding affinity of the compound towards recombinant human Protein-tyrosine phosphatase 1B was determined				Bioorg Med Chem Lett 13: 3005-7 (2003) BindingDB Entry DOI: 10.7270/Q22F7MV1
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103238 (3-Carboxymethoxy-naphthalene-2,7-dicarboxylic acid...) Show SMILES OC(=O)COc1cc2ccc(cc2cc1C(O)=O)C(O)=O Show InChI InChI=1S/C14H10O7/c15-12(16)6-21-11-5-7-1-2-8(13(17)18)3-9(7)4-10(11)14(19)20/h1-5H,6H2,(H,15,16)(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103234 (2-Carboxymethoxy-naphthalene-1,6-dicarboxylic acid...) Show SMILES OC(=O)COc1ccc2cc(ccc2c1C(O)=O)C(O)=O Show InChI InChI=1S/C14H10O7/c15-11(16)6-21-10-4-2-7-5-8(13(17)18)1-3-9(7)12(10)14(19)20/h1-5H,6H2,(H,15,16)(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103231 (CHEMBL98615 | Naphthalene-2,7-dicarboxylic acid) Show SMILES OC(=O)c1ccc2ccc(cc2c1)C(O)=O Show InChI InChI=1S/C12H8O4/c13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8/h1-6H,(H,13,14)(H,15,16)	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	PubMed	>3.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50103242 (CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...) Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PubMed	>4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)				J Med Chem 44: 2869-78 (2001) BindingDB Entry DOI: 10.7270/Q237781C
					More data for this Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Rattus norvegicus (rat)-RAT)	BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vivo binding affinity to opioid receptor preparations from rat brain				J Med Chem 29: 1087-93 (1986) BindingDB Entry DOI: 10.7270/Q2JQ1364
					More data for this Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Rattus norvegicus (rat)-RAT)	BDBM50021347 (CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...) Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vivo binding affinity to opioid receptor preparations from rat brain				J Med Chem 29: 1087-93 (1986) BindingDB Entry DOI: 10.7270/Q2JQ1364
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50139763 (CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:24| Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in in surface plasmon resonance (SPR) method				J Med Chem 47: 2166-9 (2004) Article DOI: 10.1021/jm030510e BindingDB Entry DOI: 10.7270/Q2668CNN
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50139763 (CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:24| Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in in surface plasmon resonance (SPR) method				J Med Chem 47: 2166-9 (2004) Article DOI: 10.1021/jm030510e BindingDB Entry DOI: 10.7270/Q2668CNN
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50139763 (CHEMBL306657 | [(E)-(9S,10S,14S,18S)-18-Carbamoylm...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |t:24| Show InChI InChI=1S/C39H47N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6-7,9-17,26,31-33H,1,4-5,8,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro binding affinity in extracellular ELISA-based assay for Grb2 SH2 domain				J Med Chem 47: 788-91 (2004) Article DOI: 10.1021/jm030440b BindingDB Entry DOI: 10.7270/Q2XD114Q
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50085869 (CHEMBL367037 | N-[1-(1-{2-Carbamoyl-1-[3-(5-methyl...) Show SMILES Cc1ccc2n(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(CP(O)(O)=O)cc3)NC(=O)C(O)=O)ccc2c1 Show InChI InChI=1S/C35H45N6O10P/c1-22-6-11-28-25(18-22)12-17-41(28)16-5-15-37-30(43)27(20-29(36)42)39-34(48)35(13-3-2-4-14-35)40-31(44)26(38-32(45)33(46)47)19-23-7-9-24(10-8-23)21-52(49,50)51/h6-12,17-18,26-27H,2-5,13-16,19-21H2,1H3,(H2,36,42)(H,37,43)(H,38,45)(H,39,48)(H,40,44)(H,46,47)(H2,49,50,51)/t26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method				J Med Chem 43: 911-20 (2000) BindingDB Entry DOI: 10.7270/Q2WD3ZRD
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50122796 (CHEMBL84798 | [18-Carbamoylmethyl-14-(2,3-dihydro-...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](CC2=c3ccccc3=CCC2)CNC1=O)c1ccc(CP(O)(O)=O)cc1 |c:29,36,t:24| Show InChI InChI=1S/C39H49N4O9P/c40-34(44)22-33-37(48)41-23-26(20-29-11-7-10-27-9-2-3-12-30(27)29)8-6-13-31(28-16-14-25(15-17-28)24-53(50,51)52)32(21-35(45)46)36(47)43-39(38(49)42-33)18-4-1-5-19-39/h2-3,6,9-10,12-17,26,31-33H,1,4-5,7-8,11,18-24H2,(H2,40,44)(H,41,48)(H,42,49)(H,43,47)(H,45,46)(H2,50,51,52)/b13-6+/t26-,31+,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition against Growth factor receptor bound protein 2 binding using ELISA technique				J Med Chem 46: 244-54 (2003) Article DOI: 10.1021/jm0203635 BindingDB Entry DOI: 10.7270/Q2RR1XMN
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50168312 (2-{4-[(16R,20S)-18-((S)-Carbamoylmethyl)-9-carboxy...) Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(cc3)C(C(O)=O)C(O)=O)ccc2c1 |t:36| Show InChI InChI=1S/C40H47N5O10/c1-23-8-13-31-27(18-23)14-17-45(31)22-24-6-5-7-28(25-9-11-26(12-10-25)34(37(51)52)38(53)54)29(19-33(47)48)35(49)44-40(15-3-2-4-16-40)39(55)43-30(20-32(41)46)36(50)42-21-24/h5,7-14,17-18,24,28-30,34H,2-4,6,15-16,19-22H2,1H3,(H2,41,46)(H,42,50)(H,43,55)(H,44,49)(H,47,48)(H,51,52)(H,53,54)/b7-5+/t24-,28-,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against growth factor receptor bound protein 2				J Med Chem 48: 3945-8 (2005) Article DOI: 10.1021/jm050059m BindingDB Entry DOI: 10.7270/Q2V69J48
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50403016 (CHEMBL2207845) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/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	4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to Plk1 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50073909 (CHEMBL72036 | {4-[(S)-2-Acetylamino-2-(1-{(S)-2-ca...) Show SMILES CC(=O)N[C@@H](Cc1ccc(CP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCn1ccc2cc(C)ccc12 Show InChI InChI=1S/C35H47N6O8P/c1-23-7-12-30-27(19-23)13-18-41(30)17-6-16-37-32(44)29(21-31(36)43)39-34(46)35(14-4-3-5-15-35)40-33(45)28(38-24(2)42)20-25-8-10-26(11-9-25)22-50(47,48)49/h7-13,18-19,28-29H,3-6,14-17,20-22H2,1-2H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,47,48,49)/t28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method				J Med Chem 43: 911-20 (2000) BindingDB Entry DOI: 10.7270/Q2WD3ZRD
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50143944 (2-[4-((E)-(9S,10S,14S,18S)-18-Carbamoylmethyl-9-ca...) Show SMILES NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](Cc2cccc3ccccc23)CNC1=O)c1ccc(cc1)C(C([O-])=O)C([O-])=O |t:24| Show InChI InChI=1S/C41H46N4O10/c42-33(46)22-32-37(50)43-23-24(20-28-11-7-10-25-9-2-3-12-29(25)28)8-6-13-30(26-14-16-27(17-15-26)35(38(51)52)39(53)54)31(21-34(47)48)36(49)45-41(40(55)44-32)18-4-1-5-19-41/h2-3,6-7,9-17,24,30-32,35H,1,4-5,8,18-23H2,(H2,42,46)(H,43,50)(H,44,55)(H,45,49)(H,47,48)(H,51,52)(H,53,54)/p-2/b13-6+/t24-,30+,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro Growth factor receptor bound protein 2-binding affinity of the compound was determined in ELISA method				J Med Chem 47: 2166-9 (2004) Article DOI: 10.1021/jm030510e BindingDB Entry DOI: 10.7270/Q2668CNN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50403016 (CHEMBL2207845) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50055714 (3-(4,7-dihydroxy-2-oxo-2H-3-chromenylmethyl)-4,7-d...) Show SMILES Oc1ccc2c(O)c(Cc3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C19H12O8/c20-8-1-3-10-14(5-8)26-18(24)12(16(10)22)7-13-17(23)11-4-2-9(21)6-15(11)27-19(13)25/h1-6,20-23H,7H2	PDB MMDB Reactome pathway 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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM35525 (3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...) Show SMILES Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	DrugBank MMDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50467110 (CHEMBL4278200) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C46H73N8O11P/c1-32(2)27-37(49-45(60)40-22-18-26-54(40)34(4)56)42(57)48-38-28-36-29-52(31-53(36)25-17-9-6-5-7-12-19-35-20-13-11-14-21-35)24-16-10-8-15-23-47-46(61)41(33(3)65-66(62,63)64)51-44(59)39(30-55)50-43(38)58/h11,13-14,20-21,29,31-33,37-41,55H,5-10,12,15-19,22-28,30H2,1-4H3,(H6-,47,48,49,50,51,57,58,59,60,61,62,63,64)/p+1/t33-,37+,38+,39+,40+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to Plk1 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50260121 (CHEMBL4068949) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1cccc(O)c1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C46H66FN8O13P/c1-28(2)22-36(51-46(63)39-18-13-21-55(39)30(4)57)43(60)50-37(44(61)52-38(26-56)45(62)53-41(42(48)59)29(3)68-69(64,65)66)23-31-25-49-27-54(31)20-10-8-6-5-7-9-16-34-35(47)17-12-19-40(34)67-33-15-11-14-32(58)24-33/h11-12,14-15,17,19,24-25,27-29,36-39,41,56,58H,5-10,13,16,18,20-23,26H2,1-4H3,(H2,48,59)(H,50,60)(H,51,63)(H,52,61)(H,53,62)(H2,64,65,66)/t29-,36+,37+,38+,39+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50260122 (CHEMBL4092848) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccc(CCO)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C42H67N8O12P/c1-27(2)22-33(46-42(58)36-13-11-20-50(36)29(4)53)39(55)45-34(40(56)47-35(25-52)41(57)48-37(38(43)54)28(3)62-63(59,60)61)23-32-24-44-26-49(32)19-10-8-6-5-7-9-12-30-14-16-31(17-15-30)18-21-51/h14-17,24,26-28,33-37,51-52H,5-13,18-23,25H2,1-4H3,(H2,43,54)(H,45,55)(H,46,58)(H,47,56)(H,48,57)(H2,59,60,61)/t28-,33+,34+,35+,36+,37+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50403016 (CHEMBL2207845) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Competitive binding affinity to GFP-HA-fused PLK1 polo box domain expressed in HEK293A cells using biotinylated p-T38 peptide as substrate after 1 hr...				Bioorg Med Chem Lett 22: 7306-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.093 BindingDB Entry DOI: 10.7270/Q2Z89DK2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50467111 (CHEMBL4281659) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1Cc2c[n+](CCCCCNC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)cn2CCCCCCCCc1ccccc1 |r| Show InChI InChI=1S/C45H71N8O11P/c1-31(2)26-36(48-44(59)39-21-17-25-53(39)33(4)55)41(56)47-37-27-35-28-51(30-52(35)24-16-8-6-5-7-11-18-34-19-12-9-13-20-34)23-15-10-14-22-46-45(60)40(32(3)64-65(61,62)63)50-43(58)38(29-54)49-42(37)57/h9,12-13,19-20,28,30-32,36-40,54H,5-8,10-11,14-18,21-27,29H2,1-4H3,(H6-,46,47,48,49,50,56,57,58,59,60,61,62,63)/p+1/t32-,36+,37+,38+,39+,40+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to Plk1 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition mea...				Bioorg Med Chem Lett 28: 3202-3205 (2018) Article DOI: 10.1016/j.bmcl.2018.08.018 BindingDB Entry DOI: 10.7270/Q25Q4ZST
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50168318 (CHEMBL424823 | [(15R,20S)-18-Carbamoylmethyl-10-[4...) Show SMILES Cc1ccc2n(C[C@H]3CNC(=O)[C@H](CC(N)=O)NC(=O)C4(CCCCC4)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C3)c3ccc(CP(C)(O)=O)cc3)ccc2c1 |t:36| Show InChI InChI=1S/C39H50N5O8P/c1-25-9-14-33-29(19-25)15-18-44(33)23-27-7-6-8-30(28-12-10-26(11-13-28)24-53(2,51)52)31(20-35(46)47)36(48)43-39(16-4-3-5-17-39)38(50)42-32(21-34(40)45)37(49)41-22-27/h6,8-15,18-19,27,30-32H,3-5,7,16-17,20-24H2,1-2H3,(H2,40,45)(H,41,49)(H,42,50)(H,43,48)(H,46,47)(H,51,52)/b8-6+/t27-,30-,31+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against growth factor receptor bound protein 2				J Med Chem 48: 3945-8 (2005) Article DOI: 10.1021/jm050059m BindingDB Entry DOI: 10.7270/Q2V69J48
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50194933 (CHEMBL3956625) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1c(F)cccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C46H66FN8O12P/c1-29(2)24-36(51-46(62)39-20-15-23-55(39)31(4)57)43(59)50-37(44(60)52-38(27-56)45(61)53-41(42(48)58)30(3)67-68(63,64)65)25-32-26-49-28-54(32)22-13-8-6-5-7-12-18-34-35(47)19-14-21-40(34)66-33-16-10-9-11-17-33/h9-11,14,16-17,19,21,26,28-30,36-39,41,56H,5-8,12-13,15,18,20,22-25,27H2,1-4H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,60)(H,53,61)(H2,63,64,65)/t30-,36+,37+,38+,39+,41+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick, MD 21702, United States. Curated by ChEMBL					Assay Description Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization as...				Bioorg Med Chem 25: 5041-5049 (2017) Article DOI: 10.1016/j.bmc.2017.02.063 BindingDB Entry DOI: 10.7270/Q2QR50MP
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50075017 (CHEMBL332862 | Phosphoric acid mono-[4-((R)-2-acet...) Show SMILES CC(=O)N[C@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc1cccc2ccccc12 Show InChI InChI=1S/C35H44N5O9P/c1-23(41)38-29(21-24-14-16-27(17-15-24)49-50(46,47)48)33(44)40-35(18-5-2-6-19-35)34(45)39-30(22-31(36)42)32(43)37-20-8-12-26-11-7-10-25-9-3-4-13-28(25)26/h3-4,7,9-11,13-17,29-30H,2,5-6,8,12,18-22H2,1H3,(H2,36,42)(H,37,43)(H,38,41)(H,39,45)(H,40,44)(H2,46,47,48)/t29-,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Growth factor receptor bound protein 2 in MDA-MB-453 cells				Bioorg Med Chem Lett 9: 347-52 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BF2
					More data for this Ligand-Target Pair				3D Structure (docked)
Mu-type opioid receptor (MOUSE)	BDBM50027791 (6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...) Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1 |TLB:16:15:1:4.10.3,9:10:1:15.14.13| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to induce 50% of maximal effect in mouse vas deferens expressing Opioid receptor delta 1				J Med Chem 26: 1643-5 (1983) BindingDB Entry DOI: 10.7270/Q2N015J4
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50122792 (CHEMBL312875 | [3-Carbamoylmethyl-14-(2,3-dihydro-...) Show SMILES CC1(C)NC(=O)[C@@H](CC(O)=O)[C@H](\C=C\C[C@@H](CC2=c3ccccc3=CCC2)CNC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(CP(O)(O)=O)cc1 |c:17,24,t:12| Show InChI InChI=1S/C36H45N4O9P/c1-36(2)35(46)39-30(19-31(37)41)34(45)38-20-23(17-26-10-6-9-24-8-3-4-11-27(24)26)7-5-12-28(29(18-32(42)43)33(44)40-36)25-15-13-22(14-16-25)21-50(47,48)49/h3-5,8-9,11-16,23,28-30H,6-7,10,17-21H2,1-2H3,(H2,37,41)(H,38,45)(H,39,46)(H,40,44)(H,42,43)(H2,47,48,49)/b12-5+/t23-,28+,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition against Growth factor receptor bound protein 2 binding using ELISA technique				J Med Chem 46: 244-54 (2003) Article DOI: 10.1021/jm0203635 BindingDB Entry DOI: 10.7270/Q2RR1XMN
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50118687 ((R)-N-{1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-pro...) Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@@H](CC(O)=O)Cc1ccc(CP(O)(O)=O)cc1)C(=O)NCCCc1cccc2ccccc12 Show InChI InChI=1S/C36H45N4O9P/c37-31(41)22-30(34(45)38-19-7-11-27-10-6-9-26-8-2-3-12-29(26)27)39-35(46)36(17-4-1-5-18-36)40-33(44)28(21-32(42)43)20-24-13-15-25(16-14-24)23-50(47,48)49/h2-3,6,8-10,12-16,28,30H,1,4-5,7,11,17-23H2,(H2,37,41)(H,38,45)(H,39,46)(H,40,44)(H,42,43)(H2,47,48,49)/t28-,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 12: 2781-4 (2002) BindingDB Entry DOI: 10.7270/Q23R0S6B
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50085874 (2-{4-[(S)-2-(1-{(S)-2-Carbamoyl-1-[3-(5-methyl-ind...) Show SMILES Cc1ccc2n(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(CCCCC3)NC(=O)[C@H](Cc3ccc(cc3)C(C(O)=O)C(O)=O)NC(=O)C(O)=O)ccc2c1 Show InChI InChI=1S/C37H44N6O11/c1-21-6-11-27-24(18-21)12-17-43(27)16-5-15-39-30(45)26(20-28(38)44)41-36(54)37(13-3-2-4-14-37)42-31(46)25(40-32(47)35(52)53)19-22-7-9-23(10-8-22)29(33(48)49)34(50)51/h6-12,17-18,25-26,29H,2-5,13-16,19-20H2,1H3,(H2,38,44)(H,39,45)(H,40,47)(H,41,54)(H,42,46)(H,48,49)(H,50,51)(H,52,53)/t25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method				J Med Chem 43: 911-20 (2000) BindingDB Entry DOI: 10.7270/Q2WD3ZRD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1767 total )  |  Next  |  Last  >>

Jump to: