Compile Data Set for Download or QSAR

Found 250 hits with Last Name = 'vega' and Initial = 'r'   

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
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50181451 (CHEMBL3818265) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1 Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50181451 (CHEMBL3818265) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCC3(F)CN(C)C3)c2n1 Show InChI InChI=1S/C26H26ClFN6O2/c1-16-5-4-9-33(23(16)35)18-6-7-19(21(27)12-18)20-11-17-13-30-25(29-2)31-22(17)34(24(20)36)10-8-26(28)14-32(3)15-26/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50181449 (CHEMBL3817856) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CC3CCNCC3(F)F)c2n1 Show InChI InChI=1S/C26H25ClF2N6O2/c1-15-4-3-9-34(23(15)36)18-5-6-19(21(27)11-18)20-10-16-12-32-25(30-2)33-22(16)35(24(20)37)13-17-7-8-31-14-26(17,28)29/h3-6,9-12,17,31H,7-8,13-14H2,1-2H3,(H,30,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182295 (CHEMBL3818046) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C23H23ClN6O/c1-14-5-3-6-20(28-14)15-7-8-17(19(24)12-15)18-11-16-13-27-23(26-2)29-21(16)30(22(18)31)10-4-9-25/h3,5-8,11-13H,4,9-10,25H2,1-2H3,(H,26,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182290 (CHEMBL3819356) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C23H23ClN6O2/c1-14-5-3-9-29(21(14)31)16-6-7-17(19(24)12-16)18-11-15-13-27-23(26-2)28-20(15)30(22(18)32)10-4-8-25/h3,5-7,9,11-13H,4,8,10,25H2,1-2H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50148921 (CHEMBL3770443) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50181450 (CHEMBL3818828) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCOC3CN(C)C3)c2n1 Show InChI InChI=1S/C26H27ClN6O3/c1-16-5-4-8-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-29-26(28-2)30-23(17)33(25(21)35)9-10-36-19-14-31(3)15-19/h4-8,11-13,19H,9-10,14-15H2,1-3H3,(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50182399 (CHEMBL3818479) Show SMILES Cc1nccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC4COC4)nc3n(CC3CCNCC3(F)F)c2=O)c1=O Show InChI InChI=1S/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182287 (CHEMBL3818592) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccnc(C)c3=O)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C22H22ClN7O2/c1-13-20(31)29(9-7-26-13)15-4-5-16(18(23)11-15)17-10-14-12-27-22(25-2)28-19(14)30(21(17)32)8-3-6-24/h4-5,7,9-12H,3,6,8,24H2,1-2H3,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182399 (CHEMBL3818479) Show SMILES Cc1nccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC4COC4)nc3n(CC3CCNCC3(F)F)c2=O)c1=O Show InChI InChI=1S/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182399 (CHEMBL3818479) Show SMILES Cc1nccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC4COC4)nc3n(CC3CCNCC3(F)F)c2=O)c1=O Show InChI InChI=1S/C27H26ClF2N7O3/c1-15-24(38)36(7-6-32-15)19-2-3-20(22(28)9-19)21-8-16-10-33-26(34-18-12-40-13-18)35-23(16)37(25(21)39)11-17-4-5-31-14-27(17,29)30/h2-3,6-10,17-18,31H,4-5,11-14H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182405 (CHEMBL3818016) Show SMILES COCCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O Show InChI InChI=1S/C25H24ClN5O4/c1-15-4-3-7-30(23(15)32)18-5-6-19(21(26)11-18)20-10-16-12-27-25(28-17-13-35-14-17)29-22(16)31(24(20)33)8-9-34-2/h3-7,10-12,17H,8-9,13-14H2,1-2H3,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182294 (CHEMBL3817984) Show SMILES CCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O Show InChI InChI=1S/C24H22ClN5O3/c1-3-29-21-15(11-26-24(28-21)27-16-12-33-13-16)9-19(23(29)32)18-7-6-17(10-20(18)25)30-8-4-5-14(2)22(30)31/h4-11,16H,3,12-13H2,1-2H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182288 (CHEMBL3818432) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cncc(C)c3=O)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C22H22ClN7O2/c1-13-10-26-12-30(20(13)31)15-4-5-16(18(23)9-15)17-8-14-11-27-22(25-2)28-19(14)29(21(17)32)7-3-6-24/h4-5,8-12H,3,6-7,24H2,1-2H3,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182293 (CHEMBL3817890) Show SMILES CCn1c2nc(NC)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O Show InChI InChI=1S/C22H20ClN5O2/c1-4-27-19-14(12-25-22(24-3)26-19)10-17(21(27)30)16-8-7-15(11-18(16)23)28-9-5-6-13(2)20(28)29/h5-12H,4H2,1-3H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50181448 (CHEMBL3818233) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CC(F)(F)CN)c2n1 Show InChI InChI=1S/C23H21ClF2N6O2/c1-13-4-3-7-31(20(13)33)15-5-6-16(18(24)9-15)17-8-14-10-29-22(28-2)30-19(14)32(21(17)34)12-23(25,26)11-27/h3-10H,11-12,27H2,1-2H3,(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50181452 (CHEMBL3819118) Show SMILES CCc1cccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC)nc3n(C[C@H]3CNCCO3)c2=O)c1=O |r| Show InChI InChI=1S/C26H27ClN6O3/c1-3-16-5-4-9-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-30-26(28-2)31-23(17)33(25(21)35)15-19-14-29-8-10-36-19/h4-7,9,11-13,19,29H,3,8,10,14-15H2,1-2H3,(H,28,30,31)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50148921 (CHEMBL3770443) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)/t17-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50181452 (CHEMBL3819118) Show SMILES CCc1cccn(-c2ccc(c(Cl)c2)-c2cc3cnc(NC)nc3n(C[C@H]3CNCCO3)c2=O)c1=O |r| Show InChI InChI=1S/C26H27ClN6O3/c1-3-16-5-4-9-32(24(16)34)18-6-7-20(22(27)12-18)21-11-17-13-30-26(28-2)31-23(17)33(25(21)35)15-19-14-29-8-10-36-19/h4-7,9,11-13,19,29H,3,8,10,14-15H2,1-2H3,(H,28,30,31)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182292 (CHEMBL3818273) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCOC)c2n1 Show InChI InChI=1S/C23H22ClN5O3/c1-14-5-4-8-28(21(14)30)16-6-7-17(19(24)12-16)18-11-15-13-26-23(25-2)27-20(15)29(22(18)31)9-10-32-3/h4-8,11-13H,9-10H2,1-3H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182297 (CHEMBL3818372) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccn(C)c3=O)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C21H22ClN7O2/c1-24-20-25-12-13-10-16(19(30)29(7-3-6-23)18(13)26-20)15-5-4-14(11-17(15)22)28-9-8-27(2)21(28)31/h4-5,8-12H,3,6-7,23H2,1-2H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182291 (CHEMBL3818138) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cccc(C)c3=O)c(=O)n(CCO)c2n1 Show InChI InChI=1S/C22H20ClN5O3/c1-13-4-3-7-27(20(13)30)15-5-6-16(18(23)11-15)17-10-14-12-25-22(24-2)26-19(14)28(8-9-29)21(17)31/h3-7,10-12,29H,8-9H2,1-2H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50182294 (CHEMBL3817984) Show SMILES CCn1c2nc(NC3COC3)ncc2cc(-c2ccc(cc2Cl)-n2cccc(C)c2=O)c1=O Show InChI InChI=1S/C24H22ClN5O3/c1-3-29-21-15(11-26-24(28-21)27-16-12-33-13-16)9-19(23(29)32)18-7-6-17(10-20(18)25)30-8-4-5-14(2)22(30)31/h4-11,16H,3,12-13H2,1-2H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182402 (CHEMBL3819447) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cncc(C)c3=O)c(=O)n(CCOC)c2n1 Show InChI InChI=1S/C22H21ClN6O3/c1-13-10-25-12-29(20(13)30)15-4-5-16(18(23)9-15)17-8-14-11-26-22(24-2)27-19(14)28(21(17)31)6-7-32-3/h4-5,8-12H,6-7H2,1-3H3,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50148931 (CHEMBL3770186) Show SMILES CCn1c2nc(NCCC3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncc(C)n2)c1=O Show InChI InChI=1S/C28H32ClN7O/c1-4-36-26-21(16-32-28(34-26)31-10-7-19-8-11-35(3)12-9-19)13-23(27(36)37)22-6-5-20(14-24(22)29)25-17-30-15-18(2)33-25/h5-6,13-17,19H,4,7-12H2,1-3H3,(H,31,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182289 (CHEMBL3818326) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccccc3=O)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C22H21ClN6O2/c1-25-22-26-13-14-11-17(21(31)29(10-4-8-24)20(14)27-22)16-7-6-15(12-18(16)23)28-9-3-2-5-19(28)30/h2-3,5-7,9,11-13H,4,8,10,24H2,1H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50182402 (CHEMBL3819447) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3cncc(C)c3=O)c(=O)n(CCOC)c2n1 Show InChI InChI=1S/C22H21ClN6O3/c1-13-10-25-12-29(20(13)30)15-4-5-16(18(23)9-15)17-8-14-11-26-22(24-2)27-19(14)28(21(17)31)6-7-32-3/h4-5,8-12H,6-7H2,1-3H3,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50148931 (CHEMBL3770186) Show SMILES CCn1c2nc(NCCC3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncc(C)n2)c1=O Show InChI InChI=1S/C28H32ClN7O/c1-4-36-26-21(16-32-28(34-26)31-10-7-19-8-11-35(3)12-9-19)13-23(27(36)37)22-6-5-20(14-24(22)29)25-17-30-15-18(2)33-25/h5-6,13-17,19H,4,7-12H2,1-3H3,(H,31,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182354 (CHEMBL3818217) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)N3CCN(C)C3=O)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C21H24ClN7O2/c1-24-20-25-12-13-10-16(19(30)29(7-3-6-23)18(13)26-20)15-5-4-14(11-17(15)22)28-9-8-27(2)21(28)31/h4-5,10-12H,3,6-9,23H2,1-2H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182309 (CHEMBL3818571) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)N3CCCC3=O)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C21H23ClN6O2/c1-24-21-25-12-13-10-16(20(30)28(9-3-7-23)19(13)26-21)15-6-5-14(11-17(15)22)27-8-2-4-18(27)29/h5-6,10-12H,2-4,7-9,23H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182404 (CHEMBL3819371) Show SMILES Cc1cncc(n1)-c1ccc(c(Cl)c1)-c1cc2cncnc2n(C[C@H]2CC[C@H](N)CC2)c1=O |r,wU:27.30,wD:24.26,(-9.31,7.43,;-9.32,6.2,;-10.66,5.43,;-10.67,3.89,;-9.34,3.12,;-8,3.88,;-7.99,5.42,;-6.67,3.1,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-5.35,.78,;-5.36,-.45,;-6.68,1.56,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.39,-6.02,;-3.98,-6.17,;-2.65,-5.39,;-2.68,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C25H25ClN6O/c1-15-10-28-12-23(31-15)17-4-7-20(22(26)9-17)21-8-18-11-29-14-30-24(18)32(25(21)33)13-16-2-5-19(27)6-3-16/h4,7-12,14,16,19H,2-3,5-6,13,27H2,1H3/t16-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182296 (CHEMBL3818088) Show SMILES CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCN)c2n1 Show InChI InChI=1S/C17H18ClN5O/c1-20-17-21-10-11-9-13(12-5-2-3-6-14(12)18)16(24)23(8-4-7-19)15(11)22-17/h2-3,5-6,9-10H,4,7-8,19H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	382	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50182404 (CHEMBL3819371) Show SMILES Cc1cncc(n1)-c1ccc(c(Cl)c1)-c1cc2cncnc2n(C[C@H]2CC[C@H](N)CC2)c1=O |r,wU:27.30,wD:24.26,(-9.31,7.43,;-9.32,6.2,;-10.66,5.43,;-10.67,3.89,;-9.34,3.12,;-8,3.88,;-7.99,5.42,;-6.67,3.1,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-5.35,.78,;-5.36,-.45,;-6.68,1.56,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.39,-6.02,;-3.98,-6.17,;-2.65,-5.39,;-2.68,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C25H25ClN6O/c1-15-10-28-12-23(31-15)17-4-7-20(22(26)9-17)21-8-18-11-29-14-30-24(18)32(25(21)33)13-16-2-5-19(27)6-3-16/h4,7-12,14,16,19H,2-3,5-6,13,27H2,1H3/t16-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182401 (CHEMBL3818261) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccc(C)cc3=O)c(=O)n(C[C@H]3CNCCO3)c2n1 |r| Show InChI InChI=1S/C25H25ClN6O3/c1-15-5-7-31(22(33)9-15)17-3-4-19(21(26)11-17)20-10-16-12-29-25(27-2)30-23(16)32(24(20)34)14-18-13-28-6-8-35-18/h3-5,7,9-12,18,28H,6,8,13-14H2,1-2H3,(H,27,29,30)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	943	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50182400 (CHEMBL3819633) Show SMILES CNc1ncc2cc(-c3ccc(cc3C3CC3)-n3cccc(C)c3=O)c(=O)n(C[C@@H]3CNCCO3)c2n1 |r| Show InChI InChI=1S/C28H30N6O3/c1-17-4-3-10-33(26(17)35)20-7-8-22(23(13-20)18-5-6-18)24-12-19-14-31-28(29-2)32-25(19)34(27(24)36)16-21-15-30-9-11-37-21/h3-4,7-8,10,12-14,18,21,30H,5-6,9,11,15-16H2,1-2H3,(H,29,31,32)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as ...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50545751 (CHEMBL4633001) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C116H196N42O34S6/c1-12-55(5)85-110(188)142-68(30-31-81(120)163)98(176)139-65(25-15-17-33-118)99(177)155-86(56(6)13-2)112(190)158-38-22-29-80(158)108(186)151-76-50-196-198-52-78(107(185)156-88(61(11)162)113(191)192)150-97(175)64(24-14-16-32-117)138-95(173)66(26-19-35-129-115(123)124)140-96(174)67(27-20-36-130-116(125)126)141-102(180)72(46-160)146-105(183)77-51-197-194-48-74(104(182)145-71(45-159)93(171)133-44-84(166)157-37-21-28-79(157)109(187)154-85)147-91(169)59(9)136-90(168)58(8)135-82(164)42-131-89(167)57(7)137-100(178)70(40-62-41-127-53-134-62)144-101(179)69(39-54(3)4)143-103(181)75(148-92(170)63(119)23-18-34-128-114(121)122)49-195-193-47-73(149-106(76)184)94(172)132-43-83(165)153-87(60(10)161)111(189)152-77/h41,53-61,63-80,85-88,159-162H,12-40,42-52,117-119H2,1-11H3,(H2,120,163)(H,127,134)(H,131,167)(H,132,172)(H,133,171)(H,135,164)(H,136,168)(H,137,178)(H,138,173)(H,139,176)(H,140,174)(H,141,180)(H,142,188)(H,143,181)(H,144,179)(H,145,182)(H,146,183)(H,147,169)(H,148,170)(H,149,184)(H,150,175)(H,151,186)(H,152,189)(H,153,165)(H,154,187)(H,155,177)(H,156,185)(H,191,192)(H4,121,122,128)(H4,123,124,129)(H4,125,126,130)/t55-,56-,57-,58-,59-,60+,61+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,85-,86-,87-,88-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting				J Med Chem 63: 8250-8264 (2020) Article DOI: 10.1021/acs.jmedchem.0c00485 BindingDB Entry DOI: 10.7270/Q2T72N20
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50545750 (CHEMBL4639782) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2)C(O)=O |r| Show InChI InChI=1S/C155H265N47O45S9/c1-14-81(7)121-151(243)171-69-117(210)175-104(70-203)144(236)202-122(82(8)15-2)153(245)191-101(65-85-34-17-16-18-35-85)126(218)170-68-116(209)174-87(36-19-26-53-156)128(220)194-109-75-253-254-77-111(197-133(225)94(43-33-60-169-155(167)168)179-137(229)98(51-62-249-12)185-142(234)103(67-119(213)214)190-138(230)97(50-61-248-11)176-125(217)86(163)44-47-113(164)206)150(242)193-105(71-204)143(235)173-83(9)123(215)192-106(72-205)145(237)200-120(80(5)6)152(244)187-96(46-49-118(211)212)136(228)198-108-74-252-251-73-107(195-131(223)91(40-23-30-57-160)177-129(221)89(38-21-28-55-158)181-141(233)102(66-115(166)208)189-139(231)99(52-63-250-13)186-148(109)240)146(238)183-93(42-25-32-59-162)134(226)199-112(154(246)247)78-256-255-76-110(149(241)188-100(64-79(3)4)140(232)180-88(37-20-27-54-157)127(219)172-84(10)124(216)201-121)196-132(224)92(41-24-31-58-161)178-135(227)95(45-48-114(165)207)184-130(222)90(182-147(108)239)39-22-29-56-159/h16-18,34-35,79-84,86-112,120-122,203-205H,14-15,19-33,36-78,156-163H2,1-13H3,(H2,164,206)(H2,165,207)(H2,166,208)(H,170,218)(H,171,243)(H,172,219)(H,173,235)(H,174,209)(H,175,210)(H,176,217)(H,177,221)(H,178,227)(H,179,229)(H,180,232)(H,181,233)(H,182,239)(H,183,238)(H,184,222)(H,185,234)(H,186,240)(H,187,244)(H,188,241)(H,189,231)(H,190,230)(H,191,245)(H,192,215)(H,193,242)(H,194,220)(H,195,223)(H,196,224)(H,197,225)(H,198,228)(H,199,226)(H,200,237)(H,201,216)(H,202,236)(H,211,212)(H,213,214)(H,246,247)(H4,167,168,169)/t81-,82-,83-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,120-,121-,122-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting				J Med Chem 63: 8250-8264 (2020) Article DOI: 10.1021/acs.jmedchem.0c00485 BindingDB Entry DOI: 10.7270/Q2T72N20
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50182401 (CHEMBL3818261) Show SMILES CNc1ncc2cc(-c3ccc(cc3Cl)-n3ccc(C)cc3=O)c(=O)n(C[C@H]3CNCCO3)c2n1 |r| Show InChI InChI=1S/C25H25ClN6O3/c1-15-5-7-31(22(33)9-15)17-3-4-19(21(26)11-17)20-10-16-12-29-25(27-2)30-23(16)32(24(20)34)14-18-13-28-6-8-35-18/h3-5,7,9-12,18,28H,6,8,13-14H2,1-2H3,(H,27,29,30)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50545750 (CHEMBL4639782) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2)C(O)=O |r| Show InChI InChI=1S/C155H265N47O45S9/c1-14-81(7)121-151(243)171-69-117(210)175-104(70-203)144(236)202-122(82(8)15-2)153(245)191-101(65-85-34-17-16-18-35-85)126(218)170-68-116(209)174-87(36-19-26-53-156)128(220)194-109-75-253-254-77-111(197-133(225)94(43-33-60-169-155(167)168)179-137(229)98(51-62-249-12)185-142(234)103(67-119(213)214)190-138(230)97(50-61-248-11)176-125(217)86(163)44-47-113(164)206)150(242)193-105(71-204)143(235)173-83(9)123(215)192-106(72-205)145(237)200-120(80(5)6)152(244)187-96(46-49-118(211)212)136(228)198-108-74-252-251-73-107(195-131(223)91(40-23-30-57-160)177-129(221)89(38-21-28-55-158)181-141(233)102(66-115(166)208)189-139(231)99(52-63-250-13)186-148(109)240)146(238)183-93(42-25-32-59-162)134(226)199-112(154(246)247)78-256-255-76-110(149(241)188-100(64-79(3)4)140(232)180-88(37-20-27-54-157)127(219)172-84(10)124(216)201-121)196-132(224)92(41-24-31-58-161)178-135(227)95(45-48-114(165)207)184-130(222)90(182-147(108)239)39-22-29-56-159/h16-18,34-35,79-84,86-112,120-122,203-205H,14-15,19-33,36-78,156-163H2,1-13H3,(H2,164,206)(H2,165,207)(H2,166,208)(H,170,218)(H,171,243)(H,172,219)(H,173,235)(H,174,209)(H,175,210)(H,176,217)(H,177,221)(H,178,227)(H,179,229)(H,180,232)(H,181,233)(H,182,239)(H,183,238)(H,184,222)(H,185,234)(H,186,240)(H,187,244)(H,188,241)(H,189,231)(H,190,230)(H,191,245)(H,192,215)(H,193,242)(H,194,220)(H,195,223)(H,196,224)(H,197,225)(H,198,228)(H,199,226)(H,200,237)(H,201,216)(H,202,236)(H,211,212)(H,213,214)(H,246,247)(H4,167,168,169)/t81-,82-,83-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,120-,121-,122-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Universit£ Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting				J Med Chem 63: 8250-8264 (2020) Article DOI: 10.1021/acs.jmedchem.0c00485 BindingDB Entry DOI: 10.7270/Q2T72N20
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50545750 (CHEMBL4639782) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2)C(O)=O |r| Show InChI InChI=1S/C155H265N47O45S9/c1-14-81(7)121-151(243)171-69-117(210)175-104(70-203)144(236)202-122(82(8)15-2)153(245)191-101(65-85-34-17-16-18-35-85)126(218)170-68-116(209)174-87(36-19-26-53-156)128(220)194-109-75-253-254-77-111(197-133(225)94(43-33-60-169-155(167)168)179-137(229)98(51-62-249-12)185-142(234)103(67-119(213)214)190-138(230)97(50-61-248-11)176-125(217)86(163)44-47-113(164)206)150(242)193-105(71-204)143(235)173-83(9)123(215)192-106(72-205)145(237)200-120(80(5)6)152(244)187-96(46-49-118(211)212)136(228)198-108-74-252-251-73-107(195-131(223)91(40-23-30-57-160)177-129(221)89(38-21-28-55-158)181-141(233)102(66-115(166)208)189-139(231)99(52-63-250-13)186-148(109)240)146(238)183-93(42-25-32-59-162)134(226)199-112(154(246)247)78-256-255-76-110(149(241)188-100(64-79(3)4)140(232)180-88(37-20-27-54-157)127(219)172-84(10)124(216)201-121)196-132(224)92(41-24-31-58-161)178-135(227)95(45-48-114(165)207)184-130(222)90(182-147(108)239)39-22-29-56-159/h16-18,34-35,79-84,86-112,120-122,203-205H,14-15,19-33,36-78,156-163H2,1-13H3,(H2,164,206)(H2,165,207)(H2,166,208)(H,170,218)(H,171,243)(H,172,219)(H,173,235)(H,174,209)(H,175,210)(H,176,217)(H,177,221)(H,178,227)(H,179,229)(H,180,232)(H,181,233)(H,182,239)(H,183,238)(H,184,222)(H,185,234)(H,186,240)(H,187,244)(H,188,241)(H,189,231)(H,190,230)(H,191,245)(H,192,215)(H,193,242)(H,194,220)(H,195,223)(H,196,224)(H,197,225)(H,198,228)(H,199,226)(H,200,237)(H,201,216)(H,202,236)(H,211,212)(H,213,214)(H,246,247)(H4,167,168,169)/t81-,82-,83-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,120-,121-,122-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting				J Med Chem 63: 8250-8264 (2020) Article DOI: 10.1021/acs.jmedchem.0c00485 BindingDB Entry DOI: 10.7270/Q2T72N20
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50182400 (CHEMBL3819633) Show SMILES CNc1ncc2cc(-c3ccc(cc3C3CC3)-n3cccc(C)c3=O)c(=O)n(C[C@@H]3CNCCO3)c2n1 |r| Show InChI InChI=1S/C28H30N6O3/c1-17-4-3-10-33(26(17)35)20-7-8-22(23(13-20)18-5-6-18)24-12-19-14-31-28(29-2)32-25(19)34(27(24)36)16-21-15-30-9-11-37-21/h3-4,7-8,10,12-14,18,21,30H,5-6,9,11,15-16H2,1-2H3,(H,29,31,32)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Chempartner Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins fol...				J Med Chem 59: 5520-41 (2016) Article DOI: 10.1021/acs.jmedchem.6b00638 BindingDB Entry DOI: 10.7270/Q23X88KT
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50545750 (CHEMBL4639782) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2)C(O)=O |r| Show InChI InChI=1S/C155H265N47O45S9/c1-14-81(7)121-151(243)171-69-117(210)175-104(70-203)144(236)202-122(82(8)15-2)153(245)191-101(65-85-34-17-16-18-35-85)126(218)170-68-116(209)174-87(36-19-26-53-156)128(220)194-109-75-253-254-77-111(197-133(225)94(43-33-60-169-155(167)168)179-137(229)98(51-62-249-12)185-142(234)103(67-119(213)214)190-138(230)97(50-61-248-11)176-125(217)86(163)44-47-113(164)206)150(242)193-105(71-204)143(235)173-83(9)123(215)192-106(72-205)145(237)200-120(80(5)6)152(244)187-96(46-49-118(211)212)136(228)198-108-74-252-251-73-107(195-131(223)91(40-23-30-57-160)177-129(221)89(38-21-28-55-158)181-141(233)102(66-115(166)208)189-139(231)99(52-63-250-13)186-148(109)240)146(238)183-93(42-25-32-59-162)134(226)199-112(154(246)247)78-256-255-76-110(149(241)188-100(64-79(3)4)140(232)180-88(37-20-27-54-157)127(219)172-84(10)124(216)201-121)196-132(224)92(41-24-31-58-161)178-135(227)95(45-48-114(165)207)184-130(222)90(182-147(108)239)39-22-29-56-159/h16-18,34-35,79-84,86-112,120-122,203-205H,14-15,19-33,36-78,156-163H2,1-13H3,(H2,164,206)(H2,165,207)(H2,166,208)(H,170,218)(H,171,243)(H,172,219)(H,173,235)(H,174,209)(H,175,210)(H,176,217)(H,177,221)(H,178,227)(H,179,229)(H,180,232)(H,181,233)(H,182,239)(H,183,238)(H,184,222)(H,185,234)(H,186,240)(H,187,244)(H,188,241)(H,189,231)(H,190,230)(H,191,245)(H,192,215)(H,193,242)(H,194,220)(H,195,223)(H,196,224)(H,197,225)(H,198,228)(H,199,226)(H,200,237)(H,201,216)(H,202,236)(H,211,212)(H,213,214)(H,246,247)(H4,167,168,169)/t81-,82-,83-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,120-,121-,122-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting				J Med Chem 63: 8250-8264 (2020) Article DOI: 10.1021/acs.jmedchem.0c00485 BindingDB Entry DOI: 10.7270/Q2T72N20
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50545751 (CHEMBL4633001) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C116H196N42O34S6/c1-12-55(5)85-110(188)142-68(30-31-81(120)163)98(176)139-65(25-15-17-33-118)99(177)155-86(56(6)13-2)112(190)158-38-22-29-80(158)108(186)151-76-50-196-198-52-78(107(185)156-88(61(11)162)113(191)192)150-97(175)64(24-14-16-32-117)138-95(173)66(26-19-35-129-115(123)124)140-96(174)67(27-20-36-130-116(125)126)141-102(180)72(46-160)146-105(183)77-51-197-194-48-74(104(182)145-71(45-159)93(171)133-44-84(166)157-37-21-28-79(157)109(187)154-85)147-91(169)59(9)136-90(168)58(8)135-82(164)42-131-89(167)57(7)137-100(178)70(40-62-41-127-53-134-62)144-101(179)69(39-54(3)4)143-103(181)75(148-92(170)63(119)23-18-34-128-114(121)122)49-195-193-47-73(149-106(76)184)94(172)132-43-83(165)153-87(60(10)161)111(189)152-77/h41,53-61,63-80,85-88,159-162H,12-40,42-52,117-119H2,1-11H3,(H2,120,163)(H,127,134)(H,131,167)(H,132,172)(H,133,171)(H,135,164)(H,136,168)(H,137,178)(H,138,173)(H,139,176)(H,140,174)(H,141,180)(H,142,188)(H,143,181)(H,144,179)(H,145,182)(H,146,183)(H,147,169)(H,148,170)(H,149,184)(H,150,175)(H,151,186)(H,152,189)(H,153,165)(H,154,187)(H,155,177)(H,156,185)(H,191,192)(H4,121,122,128)(H4,123,124,129)(H4,125,126,130)/t55-,56-,57-,58-,59-,60+,61+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,85-,86-,87-,88-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting				J Med Chem 63: 8250-8264 (2020) Article DOI: 10.1021/acs.jmedchem.0c00485 BindingDB Entry DOI: 10.7270/Q2T72N20
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50545751 (CHEMBL4633001) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C116H196N42O34S6/c1-12-55(5)85-110(188)142-68(30-31-81(120)163)98(176)139-65(25-15-17-33-118)99(177)155-86(56(6)13-2)112(190)158-38-22-29-80(158)108(186)151-76-50-196-198-52-78(107(185)156-88(61(11)162)113(191)192)150-97(175)64(24-14-16-32-117)138-95(173)66(26-19-35-129-115(123)124)140-96(174)67(27-20-36-130-116(125)126)141-102(180)72(46-160)146-105(183)77-51-197-194-48-74(104(182)145-71(45-159)93(171)133-44-84(166)157-37-21-28-79(157)109(187)154-85)147-91(169)59(9)136-90(168)58(8)135-82(164)42-131-89(167)57(7)137-100(178)70(40-62-41-127-53-134-62)144-101(179)69(39-54(3)4)143-103(181)75(148-92(170)63(119)23-18-34-128-114(121)122)49-195-193-47-73(149-106(76)184)94(172)132-43-83(165)153-87(60(10)161)111(189)152-77/h41,53-61,63-80,85-88,159-162H,12-40,42-52,117-119H2,1-11H3,(H2,120,163)(H,127,134)(H,131,167)(H,132,172)(H,133,171)(H,135,164)(H,136,168)(H,137,178)(H,138,173)(H,139,176)(H,140,174)(H,141,180)(H,142,188)(H,143,181)(H,144,179)(H,145,182)(H,146,183)(H,147,169)(H,148,170)(H,149,184)(H,150,175)(H,151,186)(H,152,189)(H,153,165)(H,154,187)(H,155,177)(H,156,185)(H,191,192)(H4,121,122,128)(H4,123,124,129)(H4,125,126,130)/t55-,56-,57-,58-,59-,60+,61+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,85-,86-,87-,88-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting				J Med Chem 63: 8250-8264 (2020) Article DOI: 10.1021/acs.jmedchem.0c00485 BindingDB Entry DOI: 10.7270/Q2T72N20
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50545751 (CHEMBL4633001) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC)[C@@H](C)O |r| Show InChI InChI=1S/C116H196N42O34S6/c1-12-55(5)85-110(188)142-68(30-31-81(120)163)98(176)139-65(25-15-17-33-118)99(177)155-86(56(6)13-2)112(190)158-38-22-29-80(158)108(186)151-76-50-196-198-52-78(107(185)156-88(61(11)162)113(191)192)150-97(175)64(24-14-16-32-117)138-95(173)66(26-19-35-129-115(123)124)140-96(174)67(27-20-36-130-116(125)126)141-102(180)72(46-160)146-105(183)77-51-197-194-48-74(104(182)145-71(45-159)93(171)133-44-84(166)157-37-21-28-79(157)109(187)154-85)147-91(169)59(9)136-90(168)58(8)135-82(164)42-131-89(167)57(7)137-100(178)70(40-62-41-127-53-134-62)144-101(179)69(39-54(3)4)143-103(181)75(148-92(170)63(119)23-18-34-128-114(121)122)49-195-193-47-73(149-106(76)184)94(172)132-43-83(165)153-87(60(10)161)111(189)152-77/h41,53-61,63-80,85-88,159-162H,12-40,42-52,117-119H2,1-11H3,(H2,120,163)(H,127,134)(H,131,167)(H,132,172)(H,133,171)(H,135,164)(H,136,168)(H,137,178)(H,138,173)(H,139,176)(H,140,174)(H,141,180)(H,142,188)(H,143,181)(H,144,179)(H,145,182)(H,146,183)(H,147,169)(H,148,170)(H,149,184)(H,150,175)(H,151,186)(H,152,189)(H,153,165)(H,154,187)(H,155,177)(H,156,185)(H,191,192)(H4,121,122,128)(H4,123,124,129)(H4,125,126,130)/t55-,56-,57-,58-,59-,60+,61+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,85-,86-,87-,88-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting				J Med Chem 63: 8250-8264 (2020) Article DOI: 10.1021/acs.jmedchem.0c00485 BindingDB Entry DOI: 10.7270/Q2T72N20
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50324297 (4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-...) Show SMILES C1CN(CCN1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1 Show InChI InChI=1S/C22H26N6O/c1-6-25-21(26-18-3-11-29-12-4-18)14-16(1)20-13-17-15-24-5-2-19(17)22(27-20)28-9-7-23-8-10-28/h1-2,5-6,13-15,18,23H,3-4,7-12H2,(H,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKD1 by TR-FRET assay				J Med Chem 53: 5400-21 (2010) Article DOI: 10.1021/jm100075z BindingDB Entry DOI: 10.7270/Q2T153T9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50324315 (CHEMBL1214998 | Cyclohexyl-[4-(1-piperazin-1-yl[2,...) Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1 Show InChI InChI=1S/C23H28N6/c1-2-4-19(5-3-1)27-22-15-17(6-9-26-22)21-14-18-16-25-8-7-20(18)23(28-21)29-12-10-24-11-13-29/h6-9,14-16,19,24H,1-5,10-13H2,(H,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKD1 by TR-FRET assay				J Med Chem 53: 5400-21 (2010) Article DOI: 10.1021/jm100075z BindingDB Entry DOI: 10.7270/Q2T153T9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50324315 (CHEMBL1214998 | Cyclohexyl-[4-(1-piperazin-1-yl[2,...) Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1 Show InChI InChI=1S/C23H28N6/c1-2-4-19(5-3-1)27-22-15-17(6-9-26-22)21-14-18-16-25-8-7-20(18)23(28-21)29-12-10-24-11-13-29/h6-9,14-16,19,24H,1-5,10-13H2,(H,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKD1 by TR-FRET assay				J Med Chem 53: 5422-38 (2010) Article DOI: 10.1021/jm100076w BindingDB Entry DOI: 10.7270/Q2P84C2J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50324322 (4-(2-cyclohexylaminopyridin-4-yl)-6-(piperazin-1-y...) Show SMILES O=C1NCc2c1cc(nc2-c1ccnc(NC2CCCCC2)c1)N1CCNCC1 Show InChI InChI=1S/C22H28N6O/c29-22-17-13-20(28-10-8-23-9-11-28)27-21(18(17)14-25-22)15-6-7-24-19(12-15)26-16-4-2-1-3-5-16/h6-7,12-13,16,23H,1-5,8-11,14H2,(H,24,26)(H,25,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKD1 by TR-FRET assay				J Med Chem 53: 5422-38 (2010) Article DOI: 10.1021/jm100076w BindingDB Entry DOI: 10.7270/Q2P84C2J
					More data for this Ligand-Target Pair
Polycystin-2 (Homo sapiens (Human))	BDBM50324324 (2'-Phenylamino-6-piperazin-1-yl[2,4']bipyridinyl-4...) Show SMILES NC(=O)c1cc(nc(c1)-c1ccnc(Nc2ccccc2)c1)N1CCNCC1 Show InChI InChI=1S/C21H22N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h1-7,12-14,23H,8-11H2,(H2,22,28)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKD2 by TR-FRET assay				J Med Chem 53: 5422-38 (2010) Article DOI: 10.1021/jm100076w BindingDB Entry DOI: 10.7270/Q2P84C2J
					More data for this Ligand-Target Pair

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