Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50014829   

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
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50580223 (CHEMBL5079957) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(F)n3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50580222 (CHEMBL5076078) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50580225 (CHEMBL5084053) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat P2X3 receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM271626 (US10065941, Compound I-127 | US9732060, Compound I...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat P2X3 receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM271626 (US10065941, Compound I-127 | US9732060, Compound I...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM271569 (US10065941, Compound I-070 | US9732060, Compound I...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cc(F)ccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM271893 (US10065941, Compound R-208 | US9732060, Compound R...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccncc3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50580225 (CHEMBL5084053) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50580221 (CHEMBL5073093) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50580224 (CHEMBL5090841) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cncc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM265772 (US9718790, I-0616) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@@H](O)CO)c(=O)n1Cc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM271685 (US10065941, Compound R-019 | US9732060, Compound R...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cnccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50563052 (CHEMBL4748113) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat P2X3 receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50580220 (CHEMBL5086991) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3nccs3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183205 (US9150546, I-369 | US9688643, I-369 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C23H26Cl2N4O5/c1-14(2)34-20-8-7-18(9-19(20)25)26-21-27-22(32)29(11-16(12-30)13-31)23(33)28(21)10-15-3-5-17(24)6-4-15/h3-9,14,16,30-31H,10-13H2,1-2H3,(H,26,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183231 (US9150546, I-401 | US9688643, I-401 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-19-10-9-17(11-18(19)26)27-21-28-22(33)30(13-24(3,4)20(31)32)23(34)29(21)12-15-5-7-16(25)8-6-15/h5-11,14H,12-13H2,1-4H3,(H,31,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183198 (US9150546, I-362 | US9688643, I-362 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C22H24Cl2N4O4/c1-14(2)32-19-9-8-17(12-18(19)24)25-20-26-21(30)27(10-3-11-29)22(31)28(20)13-15-4-6-16(23)7-5-15/h4-9,12,14,29H,3,10-11,13H2,1-2H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183344 (US9150546, I-518 | US9688643, I-518 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(C)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM271805 (US10065941, Compound R-120 | US9732060, Compound R...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccnn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50580221 (CHEMBL5073093) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat P2X3 receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183287 (US9150546, I-456 | US9688643, I-456 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1F)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM271892 (US10065941, Compound R-207 | US9732060, Compound R...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3cccnc3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183292 (US9150546, I-461 | US9688643, I-461 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183238 (US9150546, I-408 | US9688643, I-408 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(C)cc1 Show InChI InChI=1S/C25H29ClN4O5/c1-15(2)35-20-11-10-18(12-19(20)26)27-22-28-23(33)30(14-25(4,5)21(31)32)24(34)29(22)13-17-8-6-16(3)7-9-17/h6-12,15H,13-14H2,1-5H3,(H,31,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM271767 (US10065941, Compound R-078 | US9732060, Compound R...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM265838 (US9718790, I-0638) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@H](O)CO)c(=O)n1Cc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183345 (US9150546, I-519 | US9688643, I-519 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CCCC(O)=O)c(=O)n1Cc1ccc(C)cc1 Show InChI InChI=1S/C24H27ClN4O5/c1-15(2)34-20-11-10-18(13-19(20)25)26-22-27-23(32)28(12-4-5-21(30)31)24(33)29(22)14-17-8-6-16(3)7-9-17/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,30,31)(H,26,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183330 (US9150546, I-500 | US9688643, I-500 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CCCC(O)=O)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C23H24Cl2N4O5/c1-14(2)34-19-10-9-17(12-18(19)25)26-21-27-22(32)28(11-3-4-20(30)31)23(33)29(21)13-15-5-7-16(24)8-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,30,31)(H,26,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183187 (US9150546, I-351 | US9688643, I-351 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C21H22Cl2N4O4/c1-13(2)31-18-8-7-16(11-17(18)23)24-19-25-20(29)26(9-10-28)21(30)27(19)12-14-3-5-15(22)6-4-14/h3-8,11,13,28H,9-10,12H2,1-2H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM265821 (US9718790, I-1284) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(OC3CCC3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183364 (US9150546, I-538 | US9688643, I-538 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1C)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183291 (US9150546, I-460 | US9688643, I-460 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(C[C@@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50563052 (CHEMBL4748113) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266400 (US9718790, I-0837) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(OCC3CC3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50580219 (CHEMBL5074869) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183363 (US9150546, I-537 | US9688643, I-537 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183191 (US9150546, I-355 | US9688643, I-355 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Show InChI InChI=1S/C22H22Cl2N4O5/c1-13(2)33-18-8-7-16(11-17(18)24)25-20-26-21(31)27(10-9-19(29)30)22(32)28(20)12-14-3-5-15(23)6-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H,29,30)(H,25,26,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM265000 (US9718790, I-0991) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccc3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266159 (US9718790, I-0750) Show SMILES CC(C)COc1ccc(cc1)\N=c1/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50580218 (CHEMBL5088459) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ncco3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183089 (US9150546, I-200 | US9688643, I-200 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H25ClN4O3/c1-14(2)27-21(28)25-20(24-18-9-11-19(12-10-18)30-15(3)4)26(22(27)29)13-16-5-7-17(23)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,24,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50563053 (CHEMBL4749540) Show SMILES COc1ccc(Cn2c(Nc3cccc(c3)C(F)(F)F)nc(=O)n(CC=C)c2=O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50580221 (CHEMBL5073093) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM271626 (US10065941, Compound I-127 | US9732060, Compound I...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50580221 (CHEMBL5073093) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50563052 (CHEMBL4748113) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50580225 (CHEMBL5084053) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM271626 (US10065941, Compound I-127 | US9732060, Compound I...) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50580221 (CHEMBL5073093) Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50563052 (CHEMBL4748113) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair

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