Compile Data Set for Download or QSAR

Found 54 hits of ic50 data for polymerid = 5332   

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
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin D using Suc-AAPF-MCA as substrate preincubated for 1 hr followed by substrate addition measured per milli...				ACS Med Chem Lett 7: 294-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00451 BindingDB Entry DOI: 10.7270/Q24T6M8F
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516083 (CHEMBL4470490) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21-,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516083 (CHEMBL4470490) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21-,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516100 (CHEMBL4466871) Show SMILES CCN1Cc2cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc2NCCC1=O |r| Show InChI InChI=1S/C27H35N5O3S/c1-3-31-18-20-15-19(10-11-22(20)28-13-12-25(31)33)16-29-27(35)30-17-26(34)32-14-6-8-23(32)21-7-4-5-9-24(21)36-2/h4-5,7,9-11,15,23,28H,3,6,8,12-14,16-18H2,1-2H3,(H2,29,30,35)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516080 (CHEMBL4464178) Show SMILES O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2NCCCc2c1 Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140005 (US8901295, F684) Show SMILES CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C21H26N4O2S/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	640	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140008 (US8901295, F716) Show SMILES CSCCC(NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1c1ccccc1SC Show InChI InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	660	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516098 (CHEMBL4547673) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CC(=O)NCc3ccc4N[C@]5([H])C[C@@]([H])(OC[C@H]5O)c4c3)C(=O)[C@]21[H] |r| Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16-,17-,18-,20+,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	735	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140007 (US8901295, F714) Show SMILES CSc1ccccc1C1CCCN1C(=O)C(C)NC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C22H28N4O2S/c1-15(25-22(28)24-14-16-9-11-17(23)12-10-16)21(27)26-13-5-7-19(26)18-6-3-4-8-20(18)29-2/h3-4,6,8-12,15,19H,5,7,13-14,23H2,1-2H3,(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140004 (US8901295, F680) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccc2Br)cc1 Show InChI InChI=1S/C20H23BrN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516080 (CHEMBL4464178) Show SMILES O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2NCCCc2c1 Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140002 (US8901295, F671) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2cccc3ccccc23)cc1 Show InChI InChI=1S/C24H26N4O2/c25-19-12-10-17(11-13-19)15-26-24(30)27-16-23(29)28-14-4-9-22(28)21-8-3-6-18-5-1-2-7-20(18)21/h1-3,5-8,10-13,22H,4,9,14-16,25H2,(H2,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50169545 (CHEMBL3805631) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C25H28N8O3/c26-25-27-20(16-22-28-24(29-33(22)25)21-5-2-12-36-21)18-3-1-4-19(15-18)31-6-8-32(9-7-31)23(34)17-30-10-13-35-14-11-30/h1-5,12,15-16H,6-11,13-14,17H2,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin D using Suc-AAPF-MCA as substrate preincubated for 1 hr followed by substrate addition measured per milli...				ACS Med Chem Lett 7: 294-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00451 BindingDB Entry DOI: 10.7270/Q24T6M8F
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516082 (CHEMBL4464825) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CCNC(=O)C(=O)NC3CCCC3)ccc1N2 |r| Show InChI InChI=1S/C20H27N3O4/c24-17-11-27-18-10-16(17)23-15-6-5-12(9-14(15)18)7-8-21-19(25)20(26)22-13-3-1-2-4-13/h5-6,9,13,16-18,23-24H,1-4,7-8,10-11H2,(H,21,25)(H,22,26)/t16-,17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516095 (CHEMBL4451136) Show SMILES [H][C@]12C[C@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21+,22+,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516084 (CHEMBL4520315) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(CC(=O)NCc3ccc4N[C@]5([H])C[C@@]([H])(OC[C@H]5O)c4c3)C(=O)[C@@]21[H] |r| Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16-,17-,18-,20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516082 (CHEMBL4464825) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CCNC(=O)C(=O)NC3CCCC3)ccc1N2 |r| Show InChI InChI=1S/C20H27N3O4/c24-17-11-27-18-10-16(17)23-15-6-5-12(9-14(15)18)7-8-21-19(25)20(26)22-13-3-1-2-4-13/h5-6,9,13,16-18,23-24H,1-4,7-8,10-11H2,(H,21,25)(H,22,26)/t16-,17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50381013 (CHEMBL2017129) Show SMILES Oc1c(cc(cc1[N+]([O-])=O)-c1cc(F)cc(c1O)[N+]([O-])=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516087 (CHEMBL4471175) Show SMILES Nc1ccc(CNC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O)cc1 |TLB:11:13:15.16:18,THB:20:19:15.16:18| Show InChI InChI=1S/C18H21N3O3/c19-13-5-1-10(2-6-13)8-20-14(22)9-21-17(23)15-11-3-4-12(7-11)16(15)18(21)24/h1-2,5-6,11-12,15-16H,3-4,7-9,19H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140006 (US8901295, F712) Show SMILES CSc1ccccc1C1CCCN1C(=O)C(CC(C)C)NC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C25H34N4O2S/c1-17(2)15-21(28-25(31)27-16-18-10-12-19(26)13-11-18)24(30)29-14-6-8-22(29)20-7-4-5-9-23(20)32-3/h4-5,7,9-13,17,21-22H,6,8,14-16,26H2,1-3H3,(H2,27,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516096 (CHEMBL4540033) Show SMILES CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C24H30N4O2S/c1-31-22-9-3-2-7-19(22)21-8-5-13-28(21)23(29)16-27-24(30)26-15-17-10-11-20-18(14-17)6-4-12-25-20/h2-3,7,9-11,14,21,25H,4-6,8,12-13,15-16H2,1H3,(H2,26,27,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516094 (CHEMBL4453162) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21+,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516090 (CHEMBL4563478) Show SMILES CCN1Cc2cc(CCC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc2NCCC1=O |r| Show InChI InChI=1S/C28H36N4O3S/c1-3-31-19-21-17-20(10-12-23(21)29-15-14-27(31)34)11-13-26(33)30-18-28(35)32-16-6-8-24(32)22-7-4-5-9-25(22)36-2/h4-5,7,9-10,12,17,24,29H,3,6,8,11,13-16,18-19H2,1-2H3,(H,30,33)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140003 (US8901295, F673) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H23ClN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM139995 (US8901295, F428) Show SMILES CCOC(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C12H17N3O3/c1-2-18-11(16)8-15-12(17)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3,(H2,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM92913 (Aryl 1-indanylketone, 2) Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516096 (CHEMBL4540033) Show SMILES CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C24H30N4O2S/c1-31-22-9-3-2-7-19(22)21-8-5-13-28(21)23(29)16-27-24(30)26-15-17-10-11-20-18(14-17)6-4-12-25-20/h2-3,7,9-11,14,21,25H,4-6,8,12-13,15-16H2,1H3,(H2,26,27,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394274 (US9975902, Example 4) Show SMILES [O-][N+](=O)c1ccc(CNC(=O)CN2C(=O)C3[C@@H]4CCC(C4)[C@@H]3C2=O)cc1 |r| Show InChI InChI=1S/C18H19N3O5/c22-14(19-8-10-1-5-13(6-2-10)21(25)26)9-20-17(23)15-11-3-4-12(7-11)16(15)18(20)24/h1-2,5-6,11-12,15-16H,3-4,7-9H2,(H,19,22)/t11-,12?,15?,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394272 (US9975902, Example 2) Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)/t14-,15+,18-,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394270 (US9975902, Example 1) Show SMILES O[C@@H]1COC2C[C@H]1Nc1ccc(CNC(=O)CN3C(=O)C4[C@@H]5CCC(C5)[C@H]4C3=O)cc21 |r| Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13?,16-,17-,18?,20?,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516093 (CHEMBL4445439) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)N(C)CC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C27H34N4O4S/c1-30(15-26(33)31-11-5-7-22(31)18-6-3-4-8-25(18)36-2)27(34)28-14-17-9-10-20-19(12-17)24-13-21(29-20)23(32)16-35-24/h3-4,6,8-10,12,21-24,29,32H,5,7,11,13-16H2,1-2H3,(H,28,34)/t21-,22-,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394272 (US9975902, Example 2) Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)/t14-,15+,18-,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The peptidyl-proline isomerase activity (PPase) was determined by using a PPase-chymotrypsin coupled assay with suc-AAPF-p-NA as substrated and color...				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394273 (US9975902, Example 3) Show SMILES O[C@@H]1COC2C[C@H]1Nc1ccc(CNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc21 |r| Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16?,17-,18?,20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140001 (US8901295, F609) Show SMILES COc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C21H26N4O3/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516087 (CHEMBL4471175) Show SMILES Nc1ccc(CNC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O)cc1 |TLB:11:13:15.16:18,THB:20:19:15.16:18| Show InChI InChI=1S/C18H21N3O3/c19-13-5-1-10(2-6-13)8-20-14(22)9-21-17(23)15-11-3-4-12(7-11)16(15)18(21)24/h1-2,5-6,11-12,15-16H,3-4,7-9,19H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM46034 (US8901295, F607) Show SMILES CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C19H24N4O3/c1-2-23(26-14-16-6-4-3-5-7-16)18(24)13-22-19(25)21-12-15-8-10-17(20)11-9-15/h3-11H,2,12-14,20H2,1H3,(H2,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516099 (CHEMBL4585544) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)C(=O)N3CCC[C@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C25H29N3O4S/c1-33-23-7-3-2-5-16(23)20-6-4-10-28(20)25(31)24(30)26-13-15-8-9-18-17(11-15)22-12-19(27-18)21(29)14-32-22/h2-3,5,7-9,11,19-22,27,29H,4,6,10,12-14H2,1H3,(H,26,30)/t19-,20+,21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516081 (CHEMBL4570230) Show SMILES [H][C@]12C[C@]([H])(OC[C@H]1O)c1cc(CCNC(=O)C(=O)NC3CCCC3)ccc1N2 |r| Show InChI InChI=1S/C20H27N3O4/c24-17-11-27-18-10-16(17)23-15-6-5-12(9-14(15)18)7-8-21-19(25)20(26)22-13-3-1-2-4-13/h5-6,9,13,16-18,23-24H,1-4,7-8,10-11H2,(H,21,25)(H,22,26)/t16-,17+,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516092 (CHEMBL4456924) Show SMILES [H][C@]12C[C@]([H])(OC[C@H]1O)c1cc(CCC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C27H33N3O4S/c1-35-25-7-3-2-5-18(25)22-6-4-12-30(22)27(33)15-28-26(32)11-9-17-8-10-20-19(13-17)24-14-21(29-20)23(31)16-34-24/h2-3,5,7-8,10,13,21-24,29,31H,4,6,9,11-12,14-16H2,1H3,(H,28,32)/t21-,22+,23+,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516097 (CHEMBL4579041) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CC(=O)NCc3ccc4NCCC(=O)N(CC)Cc4c3)C(=O)[C@]21[H] |r| Show InChI InChI=1S/C24H30N4O4/c1-2-27-12-17-9-14(3-6-18(17)25-8-7-20(27)30)11-26-19(29)13-28-23(31)21-15-4-5-16(10-15)22(21)24(28)32/h3,6,9,15-16,21-22,25H,2,4-5,7-8,10-13H2,1H3,(H,26,29)/t15-,16+,21+,22-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516086 (CHEMBL4450619) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)C(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C25H29N3O4S/c1-33-23-7-3-2-5-16(23)20-6-4-10-28(20)25(31)24(30)26-13-15-8-9-18-17(11-15)22-12-19(27-18)21(29)14-32-22/h2-3,5,7-9,11,19-22,27,29H,4,6,10,12-14H2,1H3,(H,26,30)/t19-,20-,21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516091 (CHEMBL4530010) Show SMILES CCN1Cc2cc(NC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc2NCCC1=O |r| Show InChI InChI=1S/C26H33N5O3S/c1-3-30-17-18-15-19(10-11-21(18)27-13-12-24(30)32)29-26(34)28-16-25(33)31-14-6-8-22(31)20-7-4-5-9-23(20)35-2/h4-5,7,9-11,15,22,27H,3,6,8,12-14,16-17H2,1-2H3,(H2,28,29,34)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516088 (CHEMBL4593662) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)C(=O)N3CCCC3)ccc1N2 |r| Show InChI InChI=1S/C18H23N3O4/c22-15-10-25-16-8-14(15)20-13-4-3-11(7-12(13)16)9-19-17(23)18(24)21-5-1-2-6-21/h3-4,7,14-16,20,22H,1-2,5-6,8-10H2,(H,19,23)/t14-,15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516089 (CHEMBL4526530) Show SMILES CCN1Cc2cc(CCC(=O)NCCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc2NCCC1=O |r| Show InChI InChI=1S/C29H38N4O3S/c1-3-32-20-22-19-21(10-12-24(22)30-16-14-28(32)35)11-13-27(34)31-17-15-29(36)33-18-6-8-25(33)23-7-4-5-9-26(23)37-2/h4-5,7,9-10,12,19,25,30H,3,6,8,11,13-18,20H2,1-2H3,(H,31,34)/t25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394279 (US9975902, Example 9) Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C22H27N3O3/c26-18(24-9-7-13-3-6-17-14(10-13)2-1-8-23-17)12-25-21(27)19-15-4-5-16(11-15)20(19)22(25)28/h3,6,10,15-16,19-20,23H,1-2,4-5,7-9,11-12H2,(H,24,26)/t15-,16+,19-,20+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394281 (US9975902, Example 11) Show SMILES CCC1Oc2cc(ccc2NC1=O)C(C)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O |r| Show InChI InChI=1S/C23H27N3O5/c1-3-16-21(28)25-15-7-6-12(9-17(15)31-16)11(2)24-18(27)10-26-22(29)19-13-4-5-14(8-13)20(19)23(26)30/h6-7,9,11,13-14,16,19-20H,3-5,8,10H2,1-2H3,(H,24,27)(H,25,28)/t11?,13-,14+,16?,19-,20+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394278 (US9975902, Example 8) Show SMILES Nc1ccc(CNC(=O)CN2C(=O)C3C4CCC(O4)C3C2=O)cc1 Show InChI InChI=1S/C17H19N3O4/c18-10-3-1-9(2-4-10)7-19-13(21)8-20-16(22)14-11-5-6-12(24-11)15(14)17(20)23/h1-4,11-12,14-15H,5-8,18H2,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394276 (US9975902, Example 6) Show SMILES CCN1Cc2cc(CNC(=O)CN3C(=O)C4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)ccc2NCCC1=O |r| Show InChI InChI=1S/C24H30N4O4/c1-2-27-12-17-9-14(3-6-18(17)25-8-7-20(27)30)11-26-19(29)13-28-23(31)21-15-4-5-16(10-15)22(21)24(28)32/h3,6,9,15-16,21-22,25H,2,4-5,7-8,10-13H2,1H3,(H,26,29)/t15-,16+,21+,22?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394275 (US9975902, Example 5) Show SMILES Nc1ccc(cc1)C1(CC1)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O |r| Show InChI InChI=1S/C20H23N3O3/c21-14-5-3-13(4-6-14)20(7-8-20)22-15(24)10-23-18(25)16-11-1-2-12(9-11)17(16)19(23)26/h3-6,11-12,16-17H,1-2,7-10,21H2,(H,22,24)/t11-,12+,16-,17+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394277 (US9975902, Example 7) Show SMILES Nc1ccc(CCNC(=O)CN2C(=O)C3CCCCC3C2=O)cc1 Show InChI InChI=1S/C18H23N3O3/c19-13-7-5-12(6-8-13)9-10-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h5-8,14-15H,1-4,9-11,19H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair

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