Compile Data Set for Download or QSAR

Found 566 hits with Last Name = 'pickett' and Initial = 'je'   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492642 (CHEMBL2409224) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H91N15O13/c1-36(2)31-47(74-57(85)48(33-38-13-5-4-6-14-38)70-51(79)35-68-52(80)37(3)69-53(81)43(64)32-39-19-23-41(77)24-20-39)56(84)72-45(17-11-29-67-61(65)66)54(82)71-44(15-7-9-27-62)55(83)75-49(34-40-21-25-42(78)26-22-40)59(87)76-30-12-18-50(76)58(86)73-46(60(88)89)16-8-10-28-63/h4-6,13-14,19-26,36-37,43-50,77-78H,7-12,15-18,27-35,62-64H2,1-3H3,(H,68,80)(H,69,81)(H,70,79)(H,71,82)(H,72,84)(H,73,86)(H,74,85)(H,75,83)(H,88,89)(H4,65,66,67)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from DOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492645 (CHEMBL2409222) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from DOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492643 (CHEMBL2409225) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H90IN15O12/c1-36(2)31-47(75-57(85)48(33-38-13-5-4-6-14-38)71-51(79)35-69-52(80)37(3)70-53(81)43(65)32-39-21-25-42(78)26-22-39)56(84)73-45(17-11-29-68-61(66)67)54(82)72-44(15-7-9-27-63)55(83)76-49(34-40-19-23-41(62)24-20-40)59(87)77-30-12-18-50(77)58(86)74-46(60(88)89)16-8-10-28-64/h4-6,13-14,19-26,36-37,43-50,78H,7-12,15-18,27-35,63-65H2,1-3H3,(H,69,80)(H,70,81)(H,71,79)(H,72,82)(H,73,84)(H,74,86)(H,75,85)(H,76,83)(H,88,89)(H4,66,67,68)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from DOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492645 (CHEMBL2409222) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from KOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50492644 (CHEMBL2409223) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H88IN15O12/c1-36(2)30-46(74-56(84)47(32-37-12-4-3-5-13-37)70-51(79)35-68-50(78)34-69-52(80)42(64)31-38-20-24-41(77)25-21-38)55(83)72-44(16-10-28-67-60(65)66)53(81)71-43(14-6-8-26-62)54(82)75-48(33-39-18-22-40(61)23-19-39)58(86)76-29-11-17-49(76)57(85)73-45(59(87)88)15-7-9-27-63/h3-5,12-13,18-25,36,42-49,77H,6-11,14-17,26-35,62-64H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,65,66,67)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from DOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492644 (CHEMBL2409223) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H88IN15O12/c1-36(2)30-46(74-56(84)47(32-37-12-4-3-5-13-37)70-51(79)35-68-50(78)34-69-52(80)42(64)31-38-20-24-41(77)25-21-38)55(83)72-44(16-10-28-67-60(65)66)53(81)71-43(14-6-8-26-62)54(82)75-48(33-39-18-22-40(61)23-19-39)58(86)76-29-11-17-49(76)57(85)73-45(59(87)88)15-7-9-27-63/h3-5,12-13,18-25,36,42-49,77H,6-11,14-17,26-35,62-64H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,65,66,67)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from KOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511373 (CHEMBL4571548) Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511385 (CHEMBL4534959) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492643 (CHEMBL2409225) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H90IN15O12/c1-36(2)31-47(75-57(85)48(33-38-13-5-4-6-14-38)71-51(79)35-69-52(80)37(3)70-53(81)43(65)32-39-21-25-42(78)26-22-39)56(84)73-45(17-11-29-68-61(66)67)54(82)72-44(15-7-9-27-63)55(83)76-49(34-40-19-23-41(62)24-20-40)59(87)77-30-12-18-50(77)58(86)74-46(60(88)89)16-8-10-28-64/h4-6,13-14,19-26,36-37,43-50,78H,7-12,15-18,27-35,63-65H2,1-3H3,(H,69,80)(H,70,81)(H,71,79)(H,72,82)(H,73,84)(H,74,86)(H,75,85)(H,76,83)(H,88,89)(H4,66,67,68)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from MOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492645 (CHEMBL2409222) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from MOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511383 (CHEMBL4531680) Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511400 (CHEMBL4535040) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CCC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(13-7-8-13)22-20-18-10-9-15(12-19(18)23-24-20)14-3-1-4-16(11-14)25-29(27,28)17-5-2-6-17/h1,3-4,9-13,17,25H,2,5-8H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511397 (CHEMBL4452939) Show SMILES CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492642 (CHEMBL2409224) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H91N15O13/c1-36(2)31-47(74-57(85)48(33-38-13-5-4-6-14-38)70-51(79)35-68-52(80)37(3)69-53(81)43(64)32-39-19-23-41(77)24-20-39)56(84)72-45(17-11-29-67-61(65)66)54(82)71-44(15-7-9-27-62)55(83)75-49(34-40-21-25-42(78)26-22-40)59(87)76-30-12-18-50(76)58(86)73-46(60(88)89)16-8-10-28-63/h4-6,13-14,19-26,36-37,43-50,77-78H,7-12,15-18,27-35,62-64H2,1-3H3,(H,68,80)(H,69,81)(H,70,79)(H,71,82)(H,72,84)(H,73,86)(H,74,85)(H,75,83)(H,88,89)(H4,65,66,67)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from MOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511380 (CHEMBL4452360) Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511394 (CHEMBL4552310) Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H22N4O3S/c1-2-10-28(26,27)24-16-5-3-4-14(11-16)15-8-9-17-18(12-15)22-23-19(17)21-20(25)13-6-7-13/h3-5,8-9,11-13,24H,2,6-7,10H2,1H3,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492642 (CHEMBL2409224) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H91N15O13/c1-36(2)31-47(74-57(85)48(33-38-13-5-4-6-14-38)70-51(79)35-68-52(80)37(3)69-53(81)43(64)32-39-19-23-41(77)24-20-39)56(84)72-45(17-11-29-67-61(65)66)54(82)71-44(15-7-9-27-62)55(83)75-49(34-40-21-25-42(78)26-22-40)59(87)76-30-12-18-50(76)58(86)73-46(60(88)89)16-8-10-28-63/h4-6,13-14,19-26,36-37,43-50,77-78H,7-12,15-18,27-35,62-64H2,1-3H3,(H,68,80)(H,69,81)(H,70,79)(H,71,82)(H,72,84)(H,73,86)(H,74,85)(H,75,83)(H,88,89)(H4,65,66,67)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from KOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50492644 (CHEMBL2409223) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C60H88IN15O12/c1-36(2)30-46(74-56(84)47(32-37-12-4-3-5-13-37)70-51(79)35-68-50(78)34-69-52(80)42(64)31-38-20-24-41(77)25-21-38)55(83)72-44(16-10-28-67-60(65)66)53(81)71-43(14-6-8-26-62)54(82)75-48(33-39-18-22-40(61)23-19-39)58(86)76-29-11-17-49(76)57(85)73-45(59(87)88)15-7-9-27-63/h3-5,12-13,18-25,36,42-49,77H,6-11,14-17,26-35,62-64H2,1-2H3,(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,83)(H,73,85)(H,74,84)(H,75,82)(H,87,88)(H4,65,66,67)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from MOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511376 (CHEMBL4516665) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CC2)c1)C1CC1 Show InChI InChI=1S/C20H20N4O3S/c25-20(12-4-5-12)21-19-17-9-6-14(11-18(17)22-23-19)13-2-1-3-15(10-13)24-28(26,27)16-7-8-16/h1-3,6,9-12,16,24H,4-5,7-8H2,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50492643 (CHEMBL2409225) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H90IN15O12/c1-36(2)31-47(75-57(85)48(33-38-13-5-4-6-14-38)71-51(79)35-69-52(80)37(3)70-53(81)43(65)32-39-21-25-42(78)26-22-39)56(84)73-45(17-11-29-68-61(66)67)54(82)72-44(15-7-9-27-63)55(83)76-49(34-40-19-23-41(62)24-20-40)59(87)77-30-12-18-50(77)58(86)74-46(60(88)89)16-8-10-28-64/h4-6,13-14,19-26,36-37,43-50,78H,7-12,15-18,27-35,63-65H2,1-3H3,(H,69,80)(H,70,81)(H,71,79)(H,72,82)(H,73,84)(H,74,86)(H,75,85)(H,76,83)(H,88,89)(H4,66,67,68)/t37-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125]IBNtxA from KOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay				Bioorg Med Chem Lett 23: 4347-50 (2013) Article DOI: 10.1016/j.bmcl.2013.05.090 BindingDB Entry DOI: 10.7270/Q2377CNP
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511400 (CHEMBL4535040) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)C2CCC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(13-7-8-13)22-20-18-10-9-15(12-19(18)23-24-20)14-3-1-4-16(11-14)25-29(27,28)17-5-2-6-17/h1,3-4,9-13,17,25H,2,5-8H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511397 (CHEMBL4452939) Show SMILES CCN(CC)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511385 (CHEMBL4534959) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(NS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair				3D Structure (crystal)
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511373 (CHEMBL4571548) Show SMILES CC(C)CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H24N4O3S/c1-13(2)12-29(27,28)25-17-5-3-4-15(10-17)16-8-9-18-19(11-16)23-24-20(18)22-21(26)14-6-7-14/h3-5,8-11,13-14,25H,6-7,12H2,1-2H3,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511380 (CHEMBL4452360) Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair				3D Structure (crystal)
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511383 (CHEMBL4531680) Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511399 (CHEMBL4542463) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(CNS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C22H24N4O3S/c27-22(16-6-7-16)24-21-19-9-8-18(11-20(19)25-26-21)17-3-1-2-15(10-17)12-23-30(28,29)13-14-4-5-14/h1-3,8-11,14,16,23H,4-7,12-13H2,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511375 (CHEMBL4593649) Show SMILES Fc1cccc(CS(=O)(=O)Nc2cccc(c2)-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Show InChI InChI=1S/C24H21FN4O3S/c25-19-5-1-3-15(11-19)14-33(31,32)29-20-6-2-4-17(12-20)18-9-10-21-22(13-18)27-28-23(21)26-24(30)16-7-8-16/h1-6,9-13,16,29H,7-8,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511379 (CHEMBL4447403) Show SMILES FC(F)(F)CCS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H21F3N4O3S/c22-21(23,24)8-9-32(30,31)25-12-13-2-1-3-15(10-13)16-6-7-17-18(11-16)27-28-19(17)26-20(29)14-4-5-14/h1-3,6-7,10-11,14,25H,4-5,8-9,12H2,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511374 (CHEMBL4522276) Show SMILES CC(C)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C22H26N4O3S/c1-14(2)13-30(28,29)23-12-15-4-3-5-17(10-15)18-8-9-19-20(11-18)25-26-21(19)24-22(27)16-6-7-16/h3-5,8-11,14,16,23H,6-7,12-13H2,1-2H3,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511394 (CHEMBL4552310) Show SMILES CCCS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H22N4O3S/c1-2-10-28(26,27)24-16-5-3-4-14(11-16)15-8-9-17-18(12-15)22-23-19(17)21-20(25)13-6-7-13/h3-5,8-9,11-13,24H,2,6-7,10H2,1H3,(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511379 (CHEMBL4447403) Show SMILES FC(F)(F)CCS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H21F3N4O3S/c22-21(23,24)8-9-32(30,31)25-12-13-2-1-3-15(10-13)16-6-7-17-18(11-16)27-28-19(17)26-20(29)14-4-5-14/h1-3,6-7,10-11,14,25H,4-5,8-9,12H2,(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511396 (CHEMBL4472438) Show SMILES CCN(CC)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C22H27N5O3S/c1-3-27(4-2)31(29,30)23-14-15-6-5-7-17(12-15)18-10-11-19-20(13-18)25-26-21(19)24-22(28)16-8-9-16/h5-7,10-13,16,23H,3-4,8-9,14H2,1-2H3,(H2,24,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511378 (CHEMBL4470026) Show SMILES CCN(C)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H25N5O3S/c1-3-26(2)30(28,29)22-13-14-5-4-6-16(11-14)17-9-10-18-19(12-17)24-25-20(18)23-21(27)15-7-8-15/h4-6,9-12,15,22H,3,7-8,13H2,1-2H3,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511399 (CHEMBL4542463) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccc(CNS(=O)(=O)CC2CC2)c1)C1CC1 Show InChI InChI=1S/C22H24N4O3S/c27-22(16-6-7-16)24-21-19-9-8-18(11-20(19)25-26-21)17-3-1-2-15(10-17)12-23-30(28,29)13-14-4-5-14/h1-3,8-11,14,16,23H,4-7,12-13H2,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511398 (CHEMBL4582326) Show SMILES FC(F)(F)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C20H19F3N4O3S/c21-20(22,23)11-31(29,30)24-10-12-2-1-3-14(8-12)15-6-7-16-17(9-15)26-27-18(16)25-19(28)13-4-5-13/h1-3,6-9,13,24H,4-5,10-11H2,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511384 (CHEMBL4561238) Show SMILES CN(CC(F)(F)F)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H22F3N5O3S/c1-29(12-21(22,23)24)33(31,32)25-11-13-3-2-4-15(9-13)16-7-8-17-18(10-16)27-28-19(17)26-20(30)14-5-6-14/h2-4,7-10,14,25H,5-6,11-12H2,1H3,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511384 (CHEMBL4561238) Show SMILES CN(CC(F)(F)F)S(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C21H22F3N5O3S/c1-29(12-21(22,23)24)33(31,32)25-11-13-3-2-4-15(9-13)16-7-8-17-18(10-16)27-28-19(17)26-20(30)14-5-6-14/h2-4,7-10,14,25H,5-6,11-12H2,1H3,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511395 (CHEMBL4473140) Show SMILES Fc1ccccc1CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C24H21FN4O3S/c25-21-7-2-1-4-18(21)14-33(31,32)29-19-6-3-5-16(12-19)17-10-11-20-22(13-17)27-28-23(20)26-24(30)15-8-9-15/h1-7,10-13,15,29H,8-9,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511375 (CHEMBL4593649) Show SMILES Fc1cccc(CS(=O)(=O)Nc2cccc(c2)-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 Show InChI InChI=1S/C24H21FN4O3S/c25-19-5-1-3-15(11-19)14-33(31,32)29-20-6-2-4-17(12-20)18-9-10-21-22(13-18)27-28-23(21)26-24(30)16-7-8-16/h1-6,9-13,16,29H,7-8,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM403460 (US10335399, Example 2-5 | US10806724, Example 2-5) Show SMILES CC1(C)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O Show InChI InChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50511377 (CHEMBL4534571) Show SMILES Fc1ccc(CS(=O)(=O)Nc2cccc(c2)-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)cc1 Show InChI InChI=1S/C24H21FN4O3S/c25-19-9-4-15(5-10-19)14-33(31,32)29-20-3-1-2-17(12-20)18-8-11-21-22(13-18)27-28-23(21)26-24(30)16-6-7-16/h1-5,8-13,16,29H,6-7,14H2,(H2,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin)...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50511374 (CHEMBL4522276) Show SMILES CC(C)CS(=O)(=O)NCc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C22H26N4O3S/c1-14(2)13-30(28,29)23-12-15-4-3-5-17(10-15)18-8-9-19-20(11-18)25-26-21(19)24-22(27)16-6-7-16/h3-5,8-11,14,16,23H,6-7,12-13H2,1-2H3,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill (UNC-CH) Curated by ChEMBL					Assay Description Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...				ACS Med Chem Lett 11: 340-345 (2020) Article DOI: 10.1021/acsmedchemlett.9b00399 BindingDB Entry DOI: 10.7270/Q2ZC8669
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM403460 (US10335399, Example 2-5 | US10806724, Example 2-5) Show SMILES CC1(C)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O Show InChI InChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50584759 (CHEMBL5089623) Show SMILES COc1ccc(c(F)c1)-c1cc(nc2OC(C)(C)CCc12)C(N)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50584759 (CHEMBL5089623) Show SMILES COc1ccc(c(F)c1)-c1cc(nc2OC(C)(C)CCc12)C(N)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 566 total )  |  Next  |  Last  >>

Jump to: