Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'thougaard' and Initial = 'a'   

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 7 (Rattus norvegicus (Rat))	BDBM50237707 (A-804598 | CHEMBL1628690) Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM198970 (BDBM199009 | BDBM199010 | US9221832, 34) Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416603 (CHEMBL1222883) Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50410956 (CHEMBL437703) Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50237707 (A-804598 | CHEMBL1628690) Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50587051 (CHEMBL5086274) Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50267791 (AZD-9056 | AZD9056) Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24| Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50410956 (CHEMBL437703) Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50410956 (CHEMBL437703) Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318021 (2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)meth...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1 Show InChI InChI=1S/C18H17ClF3N3O2/c19-14-2-1-11(15-23-8-12(20)9-24-15)7-13(14)16(26)25-10-17(27)3-5-18(21,22)6-4-17/h1-2,7-9,27H,3-6,10H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50587051 (CHEMBL5086274) Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50234965 (A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50237707 (A-804598 | CHEMBL1628690) Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50410955 (A-438079 | CHEMBL377219) Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50585248 (CHEMBL2338352) Show SMILES O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM198970 (BDBM199009 | BDBM199010 | US9221832, 34) Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50267791 (AZD-9056 | AZD9056) Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24| Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50587051 (CHEMBL5086274) Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50410955 (A-438079 | CHEMBL377219) Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50416603 (CHEMBL1222883) Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50587053 (E133) Show SMILES CCOc1ccc(Nc2ccc(cc2)C(=C2\C=C/C(/C=C2C)=[N+](/CC)Cc2cccc(c2)S([O-])(=O)=O)\c2ccc(cc2C)N(CC)Cc2cccc(c2)S(O)(=O)=O)cc1 |c:17,20| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50318021 (2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)meth...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1 Show InChI InChI=1S/C18H17ClF3N3O2/c19-14-2-1-11(15-23-8-12(20)9-24-15)7-13(14)16(26)25-10-17(27)3-5-18(21,22)6-4-17/h1-2,7-9,27H,3-6,10H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443803 (CHEMBL3094250) Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1 |w:13.13| Show InChI InChI=1S/C26H41N7O3/c27-22-30-26(31-23-11-14-28-15-12-23)29-13-7-2-1-6-10-25(34)33(24-8-4-3-5-9-24)36-21-18-32-16-19-35-20-17-32/h11-12,14-15,24H,1-10,13,16-21H2,(H2,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443800 (CHEMBL3094255) Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1 |w:14.14| Show InChI InChI=1S/C25H41N7O4S/c26-22-29-25(30-23-10-13-27-14-11-23)28-12-6-1-2-7-21-37(33,34)32(24-8-4-3-5-9-24)36-20-17-31-15-18-35-19-16-31/h10-11,13-14,24H,1-9,12,15-21H2,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50585248 (CHEMBL2338352) Show SMILES O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50352039 (CHEMBL1823817) Show SMILES COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r| Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443805 (CHEMBL3094249) Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)NOC1CCCCC1 |w:13.13| Show InChI InChI=1S/C20H30N6O2/c21-16-24-20(25-17-11-14-22-15-12-17)23-13-7-2-1-6-10-19(27)26-28-18-8-4-3-5-9-18/h11-12,14-15,18H,1-10,13H2,(H,26,27)(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM81395 (APO-866) Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 Show InChI InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443801 (CHEMBL3094254) Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)NOCC1CCCCC1 |w:14.14| Show InChI InChI=1S/C20H32N6O3S/c21-17-24-20(25-19-10-13-22-14-11-19)23-12-6-1-2-7-15-30(27,28)26-29-16-18-8-4-3-5-9-18/h10-11,13-14,18,26H,1-9,12,15-16H2,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50587051 (CHEMBL5086274) Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443798 (CHEMBL3094258) Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)N(CCCN1CCOCC1)C1CCCCC1 |w:14.14| Show InChI InChI=1S/C26H43N7O3S/c27-23-30-26(31-24-11-14-28-15-12-24)29-13-6-1-2-7-22-37(34,35)33(25-9-4-3-5-10-25)17-8-16-32-18-20-36-21-19-32/h11-12,14-15,25H,1-10,13,16-22H2,(H2,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443799 (CHEMBL3094257) Show SMILES FCCN(OCC1CCCCC1)S(=O)(=O)CCCCCCNC(NC#N)=Nc1ccncc1 |w:26.27| Show InChI InChI=1S/C22H35FN6O3S/c23-12-16-29(32-18-20-8-4-3-5-9-20)33(30,31)17-7-2-1-6-13-26-22(27-19-24)28-21-10-14-25-15-11-21/h10-11,14-15,20H,1-9,12-13,16-18H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50267791 (AZD-9056 | AZD9056) Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24| Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443796 (CHEMBL3094229) Show SMILES O=C1C(NCCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)C(Nc2ccncc2)C1=O Show InChI InChI=1S/C28H45N5O6S/c34-27-25(26(28(27)35)31-23-11-14-29-15-12-23)30-13-7-2-1-3-8-22-40(36,37)33(24-9-5-4-6-10-24)39-21-18-32-16-19-38-20-17-32/h11-12,14-15,24-26,30H,1-10,13,16-22H2,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50234965 (A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...) Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10| Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443802 (CHEMBL3094251) Show SMILES O=C(CCCCCCCNC(NC#N)=Nc1ccncc1)N(Cc1ccccc1)OCCN1CCOCC1 |w:14.14| Show InChI InChI=1S/C28H39N7O3/c29-24-32-28(33-26-12-15-30-16-13-26)31-14-8-3-1-2-7-11-27(36)35(23-25-9-5-4-6-10-25)38-22-19-34-17-20-37-21-18-34/h4-6,9-10,12-13,15-16H,1-3,7-8,11,14,17-23H2,(H2,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50267791 (AZD-9056 | AZD9056) Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24| Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50585248 (CHEMBL2338352) Show SMILES O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM198970 (BDBM199009 | BDBM199010 | US9221832, 34) Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50237707 (A-804598 | CHEMBL1628690) Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	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 P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443793 (CHEMBL3094236) Show SMILES O=C(CCCCCCNC(=S)NCc1cccnc1)N(OCCN1CCOCC1)C1CCCCC1 Show InChI InChI=1S/C26H43N5O3S/c32-25(12-6-1-2-7-14-28-26(35)29-22-23-9-8-13-27-21-23)31(24-10-4-3-5-11-24)34-20-17-30-15-18-33-19-16-30/h8-9,13,21,24H,1-7,10-12,14-20,22H2,(H2,28,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50587051 (CHEMBL5086274) Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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 human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443791 (CHEMBL3094238) Show SMILES O=C(NCCCCCCS(=O)(=O)N(CCN1CCOCC1)CC1CCCCC1)NCc1cccnc1 Show InChI InChI=1S/C26H45N5O4S/c32-26(29-22-25-11-8-12-27-21-25)28-13-6-1-2-7-20-36(33,34)31(23-24-9-4-3-5-10-24)15-14-30-16-18-35-19-17-30/h8,11-12,21,24H,1-7,9-10,13-20,22-23H2,(H2,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435350 (CHEMBL17289) Show SMILES Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22| Show InChI InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416603 (CHEMBL1222883) Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50318021 (2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)meth...) Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1 Show InChI InChI=1S/C18H17ClF3N3O2/c19-14-2-1-11(15-23-8-12(20)9-24-15)7-13(14)16(26)25-10-17(27)3-5-18(21,22)6-4-17/h1-2,7-9,27H,3-6,10H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50587051 (CHEMBL5086274) Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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 mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50443797 (CHEMBL3094224) Show SMILES O=C1C(NCCCCCCS(=O)(=O)N(CCCN2CCOCC2)Cc2cccnc2)C(Nc2ccncc2)C1=O Show InChI InChI=1S/C28H40N6O5S/c35-27-25(26(28(27)36)32-24-8-12-29-13-9-24)31-11-3-1-2-4-20-40(37,38)34(22-23-7-5-10-30-21-23)15-6-14-33-16-18-39-19-17-33/h5,7-10,12-13,21,25-26,31H,1-4,6,11,14-20,22H2,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Topotarget A/S Curated by ChEMBL					Assay Description Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...				J Med Chem 56: 9071-88 (2013) Article DOI: 10.1021/jm4009949 BindingDB Entry DOI: 10.7270/Q2CV4K6W
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50237707 (A-804598 | CHEMBL1628690) Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r| Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02249 BindingDB Entry DOI: 10.7270/Q2862MC9
					More data for this Ligand-Target Pair

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