Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'cladingboel' and Initial = 'd'   

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))	BDBM50225550 (CHEMBL392558 | N-adamantan-1-ylmethyl-2-chloro-5-p...) Show SMILES Clc1ccc(CC2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |w:6.5,TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C24H33ClN2O/c25-22-4-3-16(6-17-2-1-5-26-14-17)10-21(22)23(28)27-15-24-11-18-7-19(12-24)9-20(8-18)13-24/h3-4,10,17-20,26H,1-2,5-9,11-15H2,(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50225551 (CHEMBL392378 | N-adamantan-1-ylmethyl-2-chloro-5-(...) Show SMILES Clc1ccc(NC2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |w:6.5,TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C23H32ClN3O/c24-21-4-3-18(27-19-2-1-5-25-13-19)9-20(21)22(28)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25,27H,1-2,5-8,10-14H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421608 (CHEMBL335707) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccc(cc2)C(=O)N2CCCC2)N2C(=O)CCCC2=O)cc1 Show InChI InChI=1S/C32H33N3O6/c36-30-7-4-8-31(37)34(30)28(16-11-23-9-12-25(13-10-23)32(38)33-19-1-2-20-33)22-41-29-17-14-24(15-18-29)26-5-3-6-27(21-26)35(39)40/h3,5-6,9-10,12-15,17-18,21,28H,1-2,4,7-8,11,16,19-20,22H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411436 (CHEMBL235581) Show SMILES Clc1ccc(CC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C24H33ClN2O/c25-22-2-1-17(7-16-3-5-26-6-4-16)11-21(22)23(28)27-15-24-12-18-8-19(13-24)10-20(9-18)14-24/h1-2,11,16,18-20,26H,3-10,12-15H2,(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421607 (CHEMBL129975) Show SMILES CN(C)C(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCCC2=O)cc1 Show InChI InChI=1S/C30H31N3O6/c1-31(2)30(36)23-12-9-21(10-13-23)11-16-26(32-28(34)7-4-8-29(32)35)20-39-27-17-14-22(15-18-27)24-5-3-6-25(19-24)33(37)38/h3,5-6,9-10,12-15,17-19,26H,4,7-8,11,16,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411442 (CHEMBL235579) Show SMILES Clc1ccc(O[C@H]2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C23H31ClN2O2/c24-21-4-3-18(28-19-2-1-5-25-13-19)9-20(21)22(27)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25H,1-2,5-8,10-14H2,(H,26,27)/t15?,16?,17?,19-,23?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421614 (CHEMBL131276) Show SMILES CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCCC2=O)cc1 Show InChI InChI=1S/C29H29N3O6/c1-30-29(35)22-11-8-20(9-12-22)10-15-25(31-27(33)6-3-7-28(31)34)19-38-26-16-13-21(14-17-26)23-4-2-5-24(18-23)32(36)37/h2,4-5,8-9,11-14,16-18,25H,3,6-7,10,15,19H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421618 (CHEMBL130777) Show SMILES Oc1csc(=O)n1C(CCc1ccc(cc1)C(=O)N1CCCC1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C30H29N3O6S/c34-28-20-40-30(36)32(28)26(13-8-21-6-9-23(10-7-21)29(35)31-16-1-2-17-31)19-39-27-14-11-22(12-15-27)24-4-3-5-25(18-24)33(37)38/h3-7,9-12,14-15,18,20,26,34H,1-2,8,13,16-17,19H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421606 (CHEMBL337188) Show SMILES CN(C)C(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)n2c(O)csc2=O)cc1 Show InChI InChI=1S/C28H27N3O6S/c1-29(2)27(33)21-9-6-19(7-10-21)8-13-24(30-26(32)18-38-28(30)34)17-37-25-14-11-20(12-15-25)22-4-3-5-23(16-22)31(35)36/h3-7,9-12,14-16,18,24,32H,8,13,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421610 (CHEMBL337413) Show SMILES CN(C)C(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C29H29N3O6/c1-30(2)29(35)22-9-6-20(7-10-22)8-13-25(31-27(33)16-17-28(31)34)19-38-26-14-11-21(12-15-26)23-4-3-5-24(18-23)32(36)37/h3-7,9-12,14-15,18,25H,8,13,16-17,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421611 (CHEMBL422433) Show SMILES CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)N2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C28H27N3O6/c1-29-28(34)21-8-5-19(6-9-21)7-12-24(30-26(32)15-16-27(30)33)18-37-25-13-10-20(11-14-25)22-3-2-4-23(17-22)31(35)36/h2-6,8-11,13-14,17,24H,7,12,15-16,18H2,1H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421612 (CHEMBL128514) Show SMILES CNC(=O)c1ccc(CCC(COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)n2c(O)csc2=O)cc1 Show InChI InChI=1S/C27H25N3O6S/c1-28-26(32)20-8-5-18(6-9-20)7-12-23(29-25(31)17-37-27(29)33)16-36-24-13-10-19(11-14-24)21-3-2-4-22(15-21)30(34)35/h2-6,8-11,13-15,17,23,31H,7,12,16H2,1H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421609 (CHEMBL131105) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccc(cc2)C(=O)N2CCCC2)N2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C31H31N3O6/c35-29-16-17-30(36)33(29)27(13-8-22-6-9-24(10-7-22)31(37)32-18-1-2-19-32)21-40-28-14-11-23(12-15-28)25-4-3-5-26(20-25)34(38)39/h3-7,9-12,14-15,20,27H,1-2,8,13,16-19,21H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421616 (CHEMBL335058) Show SMILES Oc1c[nH]c(=O)n1C(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H22N4O5/c29-23-15-26-24(30)27(23)21(7-4-17-10-12-25-13-11-17)16-33-22-8-5-18(6-9-22)19-2-1-3-20(14-19)28(31)32/h1-3,5-6,8-15,21,29H,4,7,16H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411437 (CHEMBL392559) Show SMILES Clc1ccc(CN2C[C@@H]3C[C@H]2CN3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25| Show InChI InChI=1S/C24H32ClN3O/c25-22-2-1-15(12-28-13-19-7-20(28)11-26-19)6-21(22)23(29)27-14-24-8-16-3-17(9-24)5-18(4-16)10-24/h1-2,6,16-20,26H,3-5,7-14H2,(H,27,29)/t16?,17?,18?,19-,20-,24?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411435 (CHEMBL236860) Show SMILES Clc1cnc(OC2CCCNC2)nc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C21H29ClN4O2/c22-17-11-24-20(28-16-2-1-3-23-10-16)26-18(17)19(27)25-12-21-7-13-4-14(8-21)6-15(5-13)9-21/h11,13-16,23H,1-10,12H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411443 (CHEMBL235357) Show SMILES Clc1ccc(O[C@@H]2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C23H31ClN2O2/c24-21-4-3-18(28-19-2-1-5-25-13-19)9-20(21)22(27)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25H,1-2,5-8,10-14H2,(H,26,27)/t15?,16?,17?,19-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411444 (CHEMBL393348) Show SMILES Clc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)C1CCNCC1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C23H31ClN2O/c24-21-2-1-19(18-3-5-25-6-4-18)10-20(21)22(27)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411429 (CHEMBL235789) Show SMILES Clc1ccc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C23H32ClN3O/c24-21-2-1-16(14-27-5-3-25-4-6-27)10-20(21)22(28)26-15-23-11-17-7-18(12-23)9-19(8-17)13-23/h1-2,10,17-19,25H,3-9,11-15H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411439 (CHEMBL235580) Show SMILES Clc1ccc(NC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C23H32ClN3O/c24-21-2-1-19(27-18-3-5-25-6-4-18)10-20(21)22(28)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25,27H,3-9,11-14H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411428 (CHEMBL393384) Show SMILES Clc1ccc(OC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C23H31ClN2O2/c24-21-2-1-19(28-18-3-5-25-6-4-18)10-20(21)22(27)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421617 (CHEMBL336571) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2C(=O)CCNC2=O)cc1 Show InChI InChI=1S/C25H24N4O5/c30-24-12-15-27-25(31)28(24)22(7-4-18-10-13-26-14-11-18)17-34-23-8-5-19(6-9-23)20-2-1-3-21(16-20)29(32)33/h1-3,5-6,8-11,13-14,16,22H,4,7,12,15,17H2,(H,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421615 (CHEMBL132173) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCOC2=O)cc1 Show InChI InChI=1S/C25H25N3O5/c29-25-27(15-2-16-32-25)23(8-5-19-11-13-26-14-12-19)18-33-24-9-6-20(7-10-24)21-3-1-4-22(17-21)28(30)31/h1,3-4,6-7,9-14,17,23H,2,5,8,15-16,18H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411430 (CHEMBL235791) Show SMILES Clc1cc(CN2CCCCC2)ccc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C24H33ClN2O/c25-22-11-17(15-27-6-2-1-3-7-27)4-5-21(22)23(28)26-16-24-12-18-8-19(13-24)10-20(9-18)14-24/h4-5,11,18-20H,1-3,6-10,12-16H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411441 (CHEMBL393821) Show SMILES Cc1nnc(OC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C22H32N4O2/c1-14-19(9-20(26-25-14)28-18-2-4-23-5-3-18)21(27)24-13-22-10-15-6-16(11-22)8-17(7-15)12-22/h9,15-18,23H,2-8,10-13H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411431 (CHEMBL393717) Show SMILES Clc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)N1CCNCC1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C22H30ClN3O/c23-20-2-1-18(26-5-3-24-4-6-26)10-19(20)21(27)25-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17,24H,3-9,11-14H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50414327 (CHEMBL128537) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCCC2=O)cc1 Show InChI InChI=1S/C26H27N3O4/c30-26-6-1-2-17-28(26)24(10-7-20-13-15-27-16-14-20)19-33-25-11-8-21(9-12-25)22-4-3-5-23(18-22)29(31)32/h3-5,8-9,11-16,18,24H,1-2,6-7,10,17,19H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50225552 (CHEMBL235393 | N-adamantan-1-ylmethyl-2-methyl-5-(...) Show SMILES Cc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)N1CC2CNCC(C1)O2 |w:29.33,25.28,TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C26H35N3O3/c1-16-2-3-20(25(31)29-13-21-11-27-12-22(14-29)32-21)7-23(16)24(30)28-15-26-8-17-4-18(9-26)6-19(5-17)10-26/h2-3,7,17-19,21-22,27H,4-6,8-15H2,1H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Activity at vasopressin V1A receptor				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50225553 (CHEMBL393754 | N-adamantan-1-ylmethyl-2-chloro-5-(...) Show SMILES Clc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)N1CC2CNCC(C1)O2 |w:29.33,25.28,TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H32ClN3O3/c26-22-2-1-18(24(31)29-12-19-10-27-11-20(13-29)32-19)6-21(22)23(30)28-14-25-7-15-3-16(8-25)5-17(4-15)9-25/h1-2,6,15-17,19-20,27H,3-5,7-14H2,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Activity at vasopressin V1A receptor				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222398 (CHEMBL128518) Show SMILES CN(NC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(C)=O Show InChI InChI=1S/C24H26N4O4/c1-18(29)27(2)26-22(9-6-19-12-14-25-15-13-19)17-32-24-10-7-20(8-11-24)21-4-3-5-23(16-21)28(30)31/h3-5,7-8,10-16,22,26H,6,9,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222403 (CHEMBL131381) Show SMILES NC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H21N3O3/c22-19(7-4-16-10-12-23-13-11-16)15-27-21-8-5-17(6-9-21)18-2-1-3-20(14-18)24(25)26/h1-3,5-6,8-14,19H,4,7,15,22H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50421613 (CHEMBL128481) Show SMILES CC1(C)NC(=O)N(C(CCc2ccncc2)COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)C1=O Show InChI InChI=1S/C26H26N4O5/c1-26(2)24(31)29(25(32)28-26)22(9-6-18-12-14-27-15-13-18)17-35-23-10-7-19(8-11-23)20-4-3-5-21(16-20)30(33)34/h3-5,7-8,10-16,22H,6,9,17H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222404 (CHEMBL129876) Show SMILES COC(=O)NNC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H24N4O5/c1-31-23(28)26-25-20(8-5-17-11-13-24-14-12-17)16-32-22-9-6-18(7-10-22)19-3-2-4-21(15-19)27(29)30/h2-4,6-7,9-15,20,25H,5,8,16H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222400 (CHEMBL130520) Show SMILES CC(=O)NNC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C23H24N4O4/c1-17(28)25-26-21(8-5-18-11-13-24-14-12-18)16-31-23-9-6-19(7-10-23)20-3-2-4-22(15-20)27(29)30/h2-4,6-7,9-15,21,26H,5,8,16H2,1H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222401 (CHEMBL338652) Show SMILES CN1CC(=O)N(C(CCc2ccncc2)COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)C1=O Show InChI InChI=1S/C25H24N4O5/c1-27-16-24(30)28(25(27)31)22(8-5-18-11-13-26-14-12-18)17-34-23-9-6-19(7-10-23)20-3-2-4-21(15-20)29(32)33/h2-4,6-7,9-15,22H,5,8,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222402 (CHEMBL424070) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCC2=O)cc1 Show InChI InChI=1S/C25H25N3O4/c29-25-5-2-16-27(25)23(9-6-19-12-14-26-15-13-19)18-32-24-10-7-20(8-11-24)21-3-1-4-22(17-21)28(30)31/h1,3-4,7-8,10-15,17,23H,2,5-6,9,16,18H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222399 (CHEMBL337016) Show SMILES CN1C(=O)N(C(CCc2ccncc2)COc2ccc(cc2)-c2cccc(c2)[N+]([O-])=O)C(=O)C1(C)C Show InChI InChI=1S/C27H28N4O5/c1-27(2)25(32)30(26(33)29(27)3)23(10-7-19-13-15-28-16-14-19)18-36-24-11-8-20(9-12-24)21-5-4-6-22(17-21)31(34)35/h4-6,8-9,11-17,23H,7,10,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222405 (CHEMBL130571) Show SMILES COC(=O)N(C)NC(CCc1ccncc1)COc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H26N4O5/c1-27(24(29)32-2)26-21(9-6-18-12-14-25-15-13-18)17-33-23-10-7-19(8-11-23)20-4-3-5-22(16-20)28(30)31/h3-5,7-8,10-16,21,26H,6,9,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50222397 (CHEMBL131434) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(OCC(CCc2ccncc2)N2CCCS2(=O)=O)cc1 Show InChI InChI=1S/C24H25N3O5S/c28-27(29)22-4-1-3-21(17-22)20-6-9-24(10-7-20)32-18-23(26-15-2-16-33(26,30)31)8-5-19-11-13-25-14-12-19/h1,3-4,6-7,9-14,17,23H,2,5,8,15-16,18H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.				Bioorg Med Chem Lett 13: 4043-6 (2003) BindingDB Entry DOI: 10.7270/Q2930VCQ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50283511 ((1R,13S,16R,17R,22E)-17,23-dimethyl-21-(prop-2-en-...) Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10| Show InChI InChI=1S/C39H46N2O14/c1-4-8-26-21-23(2)17-20-51-39(50)55-36(47)31-16-15-30(52-31)32(43)33(44)37(48)54-38(49)34(45)41-19-6-5-10-27(41)35(46)53-29(24(3)11-13-28(26)42)14-12-25-9-7-18-40-22-25/h4,7,9,18,21-22,24,26-27,29-31H,1,5-6,8,10-17,19-20H2,2-3H3/b23-21+/t24-,26?,27+,29-,30-,31?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue				Bioorg Med Chem Lett 4: 2507-2510 (1994) Article DOI: 10.1016/S0960-894X(01)80273-0 BindingDB Entry DOI: 10.7270/Q2ZS2WG1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50283509 ((1R,13S,16R,17R,22E)-17,23-dimethyl-21-(prop-2-en-...) Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10| Show InChI InChI=1S/C40H48N2O14/c1-4-9-27-22-24(2)10-8-21-52-40(51)56-37(48)32-18-17-31(53-32)33(44)34(45)38(49)55-39(50)35(46)42-20-6-5-12-28(42)36(47)54-30(25(3)13-15-29(27)43)16-14-26-11-7-19-41-23-26/h4,7,11,19,22-23,25,27-28,30-32H,1,5-6,8-10,12-18,20-21H2,2-3H3/b24-22+/t25-,27?,28+,30-,31-,32?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue				Bioorg Med Chem Lett 4: 2507-2510 (1994) Article DOI: 10.1016/S0960-894X(01)80273-0 BindingDB Entry DOI: 10.7270/Q2ZS2WG1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50283510 ((3R,4R,30aS)-4,10-dimethyl-8-(prop-2-en-1-yl)-3-[2...) Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10| Show InChI InChI=1S/C38H48N2O12/c1-4-10-28-23-25(2)19-22-49-38(48)51-33(43)14-6-5-13-31(42)36(46)52-37(47)34(44)40-21-8-7-12-29(40)35(45)50-32(26(3)15-17-30(28)41)18-16-27-11-9-20-39-24-27/h4,9,11,20,23-24,26,28-29,32H,1,5-8,10,12-19,21-22H2,2-3H3/b25-23+/t26-,28?,29+,32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue				Bioorg Med Chem Lett 4: 2507-2510 (1994) Article DOI: 10.1016/S0960-894X(01)80273-0 BindingDB Entry DOI: 10.7270/Q2ZS2WG1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50283512 ((3R,4R,29aS)-4,10-dimethyl-8-(prop-2-en-1-yl)-3-[2...) Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10| Show InChI InChI=1S/C37H46N2O12/c1-4-9-27-22-24(2)18-21-48-37(47)50-32(42)13-7-12-30(41)35(45)51-36(46)33(43)39-20-6-5-11-28(39)34(44)49-31(25(3)14-16-29(27)40)17-15-26-10-8-19-38-23-26/h4,8,10,19,22-23,25,27-28,31H,1,5-7,9,11-18,20-21H2,2-3H3/b24-22+/t25-,27?,28+,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue				Bioorg Med Chem Lett 4: 2507-2510 (1994) Article DOI: 10.1016/S0960-894X(01)80273-0 BindingDB Entry DOI: 10.7270/Q2ZS2WG1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50283515 ((1R,13S,16R,17R,22E)-1,17,23-trimethyl-21-(prop-2-...) Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCCOC(=O)OC(=O)C2CC[C@@](C)(O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10| Show InChI InChI=1S/C41H50N2O14/c1-5-10-28-23-25(2)11-9-22-53-40(52)56-37(49)32-18-19-41(4,57-32)34(46)33(45)38(50)55-39(51)35(47)43-21-7-6-13-29(43)36(48)54-31(26(3)14-16-30(28)44)17-15-27-12-8-20-42-24-27/h5,8,12,20,23-24,26,28-29,31-32H,1,6-7,9-11,13-19,21-22H2,2-4H3/b25-23+/t26-,28?,29+,31-,32?,41-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue				Bioorg Med Chem Lett 4: 2507-2510 (1994) Article DOI: 10.1016/S0960-894X(01)80273-0 BindingDB Entry DOI: 10.7270/Q2ZS2WG1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50283514 ((1R,13S,16R,17R,22E)-1,17,23-trimethyl-21-(prop-2-...) Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)C2CC[C@@](C)(O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10| Show InChI InChI=1S/C40H48N2O14/c1-5-9-27-22-24(2)17-21-52-39(51)55-36(48)31-16-18-40(4,56-31)33(45)32(44)37(49)54-38(50)34(46)42-20-7-6-11-28(42)35(47)53-30(25(3)12-14-29(27)43)15-13-26-10-8-19-41-23-26/h5,8,10,19,22-23,25,27-28,30-31H,1,6-7,9,11-18,20-21H2,2-4H3/b24-22+/t25-,27?,28+,30-,31?,40-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue				Bioorg Med Chem Lett 4: 2507-2510 (1994) Article DOI: 10.1016/S0960-894X(01)80273-0 BindingDB Entry DOI: 10.7270/Q2ZS2WG1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50283513 ((3R,4R,28aS)-4,10-dimethyl-8-(prop-2-en-1-yl)-3-[2...) Show SMILES C[C@@H]1CCC(=O)C(CC=C)\C=C(C)\CCOC(=O)OC(=O)CCC(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1cccnc1 |c:10| Show InChI InChI=1S/C36H44N2O12/c1-4-8-26-21-23(2)17-20-47-36(46)49-31(41)16-14-29(40)34(44)50-35(45)32(42)38-19-6-5-10-27(38)33(43)48-30(24(3)11-13-28(26)39)15-12-25-9-7-18-37-22-25/h4,7,9,18,21-22,24,26-27,30H,1,5-6,8,10-17,19-20H2,2-3H3/b23-21+/t24-,26?,27+,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabelled FK506 analogue				Bioorg Med Chem Lett 4: 2507-2510 (1994) Article DOI: 10.1016/S0960-894X(01)80273-0 BindingDB Entry DOI: 10.7270/Q2ZS2WG1
					More data for this Ligand-Target Pair