Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with Target = 'Pirin'   

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
Pirin (Homo sapiens (Human))	BDBM50234078 (CHEMBL4087666 | US9701664, Example 63) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234079 (CHEMBL4096048 | US9701664, Example 80) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1 Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234078 (CHEMBL4087666 | US9701664, Example 63) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234078 (CHEMBL4087666 | US9701664, Example 63) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50507431 (CHEMBL4473676 | US9701664, Example 191) Show SMILES CC(C)(C)N1CCN(Cc2ccc3cc(ccc3n2)C(=O)Nc2cc(NC(=O)c3ccc4OCCOc4c3)ccc2Cl)CC1 Show InChI InChI=1S/C34H36ClN5O4/c1-34(2,3)40-14-12-39(13-15-40)21-26-7-4-22-18-23(5-10-28(22)36-26)33(42)38-29-20-25(8-9-27(29)35)37-32(41)24-6-11-30-31(19-24)44-17-16-43-30/h4-11,18-20H,12-17,21H2,1-3H3,(H,37,41)(H,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234074 (CHEMBL4070633 | US9701664, Example 39) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pirin (Homo sapiens (Human))	BDBM50234074 (CHEMBL4070633 | US9701664, Example 39) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pirin (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50428286 (DABRAFENIB | GSK2118436A) Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM99471 (US8497274, 32) Show SMILES Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50430022 (CHEMBL2144069) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM31088 (1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...) Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234084 (CHEMBL4091953) Show SMILES Cc1ccc(NC(=O)c2cccc3OCCOc23)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-7-10-24(33-32(38)25-5-4-6-28-30(25)41-18-17-39-28)20-27(21)35-31(37)23-8-11-26-22(19-23)9-12-29(34-26)40-16-15-36-13-2-3-14-36/h4-12,19-20H,2-3,13-18H2,1H3,(H,33,38)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50029085 (CHEBI:83405 | CHEMBL525191 | GDC-0879) Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...				ACS Med Chem Lett 9: 1199-1204 (2018) Article DOI: 10.1021/acsmedchemlett.8b00364 BindingDB Entry DOI: 10.7270/Q2GQ7214
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234077 (CHEMBL4066791) Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1 Show InChI InChI=1S/C27H25N3O4/c1-16-5-10-21(29-26(31)20-9-12-24(33-3)25(14-20)34-4)15-23(16)30-27(32)19-8-11-22-18(13-19)7-6-17(2)28-22/h5-15H,1-4H3,(H,29,31)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234074 (CHEMBL4070633 | US9701664, Example 39) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pirin (Homo sapiens (Human))	BDBM50234082 (CHEMBL4088624 | US9701664, Example 52) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C34H36N4O5/c1-23-6-10-27(35-33(39)26-8-12-30-31(21-26)42-19-18-41-30)22-29(23)37-34(40)25-7-11-28-24(20-25)9-13-32(36-28)43-17-5-16-38-14-3-2-4-15-38/h6-13,20-22H,2-5,14-19H2,1H3,(H,35,39)(H,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50379276 (CHEMBL1230119) Show SMILES Cc1ccc(cc1)S(=O)(=O)NS(=C)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15,22H,2,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234081 (CHEMBL4077611) Show SMILES CN(C(=O)c1ccc2OCCOc2c1)c1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1 Show InChI InChI=1S/C28H25N3O4/c1-17-4-9-22(31(3)28(33)21-8-11-25-26(15-21)35-13-12-34-25)16-24(17)30-27(32)20-7-10-23-19(14-20)6-5-18(2)29-23/h4-11,14-16H,12-13H2,1-3H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234072 (CHEMBL4099031) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCCc3c2)ccc1C Show InChI InChI=1S/C28H25N3O3/c1-17-5-10-23(30-27(32)22-9-12-26-20(15-22)4-3-13-34-26)16-25(17)31-28(33)21-8-11-24-19(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50379276 (CHEMBL1230119) Show SMILES Cc1ccc(cc1)S(=O)(=O)NS(=C)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15,22H,2,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234078 (CHEMBL4087666 | US9701664, Example 63) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234078 (CHEMBL4087666 | US9701664, Example 63) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234082 (CHEMBL4088624 | US9701664, Example 52) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C34H36N4O5/c1-23-6-10-27(35-33(39)26-8-12-30-31(21-26)42-19-18-41-30)22-29(23)37-34(40)25-7-11-28-24(20-25)9-13-32(36-28)43-17-5-16-38-14-3-2-4-15-38/h6-13,20-22H,2-5,14-19H2,1H3,(H,35,39)(H,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234079 (CHEMBL4096048 | US9701664, Example 80) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1 Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234079 (CHEMBL4096048 | US9701664, Example 80) Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1 Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234081 (CHEMBL4077611) Show SMILES CN(C(=O)c1ccc2OCCOc2c1)c1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1 Show InChI InChI=1S/C28H25N3O4/c1-17-4-9-22(31(3)28(33)21-8-11-25-26(15-21)35-13-12-34-25)16-24(17)30-27(32)20-7-10-23-19(14-20)6-5-18(2)29-23/h4-11,14-16H,12-13H2,1-3H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234074 (CHEMBL4070633 | US9701664, Example 39) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pirin (Homo sapiens (Human))	BDBM50234077 (CHEMBL4066791) Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1 Show InChI InChI=1S/C27H25N3O4/c1-16-5-10-21(29-26(31)20-9-12-24(33-3)25(14-20)34-4)15-23(16)30-27(32)19-8-11-22-18(13-19)7-6-17(2)28-22/h5-15H,1-4H3,(H,29,31)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234076 (CHEMBL4077078) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCCOc3c2)ccc1C Show InChI InChI=1S/C28H25N3O3/c1-17-5-11-23(30-27(32)22-9-8-19-4-3-13-34-26(19)15-22)16-25(17)31-28(33)21-10-12-24-20(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234076 (CHEMBL4077078) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCCOc3c2)ccc1C Show InChI InChI=1S/C28H25N3O3/c1-17-5-11-23(30-27(32)22-9-8-19-4-3-13-34-26(19)15-22)16-25(17)31-28(33)21-10-12-24-20(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234072 (CHEMBL4099031) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCCc3c2)ccc1C Show InChI InChI=1S/C28H25N3O3/c1-17-5-10-23(30-27(32)22-9-12-26-20(15-22)4-3-13-34-26)16-25(17)31-28(33)21-8-11-24-19(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234075 (CHEMBL4063438) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCOCc3c2)ccc1C Show InChI InChI=1S/C28H25N3O3/c1-17-3-9-24(30-27(32)21-7-6-19-11-12-34-16-23(19)14-21)15-26(17)31-28(33)22-8-10-25-20(13-22)5-4-18(2)29-25/h3-10,13-15H,11-12,16H2,1-2H3,(H,30,32)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50379276 (CHEMBL1230119) Show SMILES Cc1ccc(cc1)S(=O)(=O)NS(=C)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15,22H,2,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Antagonist activity at pirin by ITC assay				Bioorg Med Chem 20: 1979-89 (2012) Article DOI: 10.1016/j.bmc.2011.11.071 BindingDB Entry DOI: 10.7270/Q22J6CVS
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50234075 (CHEMBL4063438) Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCOCc3c2)ccc1C Show InChI InChI=1S/C28H25N3O3/c1-17-3-9-24(30-27(32)21-7-6-19-11-12-34-16-23(19)14-21)15-26(17)31-28(33)22-8-10-25-20(13-22)5-4-18(2)29-25/h3-10,13-15H,11-12,16H2,1-2H3,(H,30,32)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) Article DOI: 10.1021/acs.jmedchem.6b01055 BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair