Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'bryant' and Initial = 'cj'   

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 NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305679 ((R)-methyl 2-(5-(4-(aminomethyl)phenyl)-2-methylfu...) Show SMILES COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(oc1C)-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C24H24N4O4/c1-14-17(11-21(32-14)16-9-7-15(13-25)8-10-16)23(29)28-20(24(30)31-2)12-22-26-18-5-3-4-6-19(18)27-22/h3-11,20H,12-13,25H2,1-2H3,(H,26,27)(H,28,29)/t20-/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 PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305675 ((R)-3-(1H-benzo[d]imidazol-2-yl)-2-(5-(4-methoxyph...) Show SMILES COc1ccc(cc1)-c1cc(C(=O)N[C@H](Cc2nc3ccccc3[nH]2)C(O)=O)c(C)o1 |r| Show InChI InChI=1S/C23H21N3O5/c1-13-16(11-20(31-13)14-7-9-15(30-2)10-8-14)22(27)26-19(23(28)29)12-21-24-17-5-3-4-6-18(17)25-21/h3-11,19H,12H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/t19-/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 PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305678 ((R)-methyl 3-(1H-benzo[d]imidazol-2-yl)-2-(5-(4-cy...) Show SMILES COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(oc1C)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H20N4O4/c1-14-17(11-21(32-14)16-9-7-15(13-25)8-10-16)23(29)28-20(24(30)31-2)12-22-26-18-5-3-4-6-19(18)27-22/h3-11,20H,12H2,1-2H3,(H,26,27)(H,28,29)/t20-/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 PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305680 ((R)-methyl 3-(1H-benzo[d]imidazol-2-yl)-2-(1-methy...) Show SMILES COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(nn1C)-c1ccccc1 |r| Show InChI InChI=1S/C22H21N5O3/c1-27-19(12-17(26-27)14-8-4-3-5-9-14)21(28)25-18(22(29)30-2)13-20-23-15-10-6-7-11-16(15)24-20/h3-12,18H,13H2,1-2H3,(H,23,24)(H,25,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329853 (2-(3-fluorophenyl)-1H-imidazole-4,5-dicarboxylic a...) Show SMILES OC(=O)c1nc([nH]c1C(O)=O)-c1cccc(F)c1 Show InChI InChI=1S/C11H7FN2O4/c12-6-3-1-2-5(4-6)9-13-7(10(15)16)8(14-9)11(17)18/h1-4H,(H,13,14)(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305677 ((R)-methyl 3-(1H-benzo[d]imidazol-2-yl)-2-(2-methy...) Show SMILES COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(oc1C)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H23N3O4/c1-14-8-10-16(11-9-14)21-12-17(15(2)31-21)23(28)27-20(24(29)30-3)13-22-25-18-6-4-5-7-19(18)26-22/h4-12,20H,13H2,1-3H3,(H,25,26)(H,27,28)/t20-/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 PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329873 (4-((2-amino-2-oxoethyl)(benzo[d]thiazol-2-ylmethyl...) Show SMILES NC(=O)CN(Cc1nc2ccccc2s1)C(=O)c1[nH]c(nc1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C21H17N5O4S/c22-15(27)10-26(11-16-23-13-8-4-5-9-14(13)31-16)20(28)17-18(21(29)30)25-19(24-17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,22,27)(H,24,25)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329854 (4-(benzyl(phenethyl)carbamoyl)-2-phenyl-1H-imidazo...) Show SMILES OC(=O)c1nc([nH]c1C(=O)N(CCc1ccccc1)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C26H23N3O3/c30-25(22-23(26(31)32)28-24(27-22)21-14-8-3-9-15-21)29(18-20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15H,16-18H2,(H,27,28)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305673 ((R)-2-(benzo[b]thiophene-2-carboxamido)-3-(1H-benz...) Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329855 (2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidaz...) Show SMILES OC(=O)c1nc([nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H20ClN3O3/c26-20-13-7-12-19(14-20)23-27-21(22(28-23)25(31)32)24(30)29(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,27,28)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329852 (2-phenyl-1H-imidazole-4,5-dicarboxylic acid | CHEM...) Show SMILES OC(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329874 (4-(benzyl(methyl)carbamoyl)-2-(3-chlorophenyl)-1H-...) Show SMILES CN(Cc1ccccc1)C(=O)c1[nH]c(nc1C(O)=O)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H16ClN3O3/c1-23(11-12-6-3-2-4-7-12)18(24)15-16(19(25)26)22-17(21-15)13-8-5-9-14(20)10-13/h2-10H,11H2,1H3,(H,21,22)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305681 ((R)-2-(5-(4-methoxyphenyl)-2-methylfuran-3-carboxa...) Show SMILES COc1ccc(cc1)-c1cc(C(=O)N[C@H](Cc2ccc3ccccc3c2)C(O)=O)c(C)o1 |r| Show InChI InChI=1S/C26H23NO5/c1-16-22(15-24(32-16)19-9-11-21(31-2)12-10-19)25(28)27-23(26(29)30)14-17-7-8-18-5-3-4-6-20(18)13-17/h3-13,15,23H,14H2,1-2H3,(H,27,28)(H,29,30)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305682 ((2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylam...) Show SMILES Cn1nc(cc1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(O)=O)-c1ccccc1 |r| Show InChI InChI=1S/C24H21N3O3/c1-27-22(15-20(26-27)18-8-3-2-4-9-18)23(28)25-21(24(29)30)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,21H,14H2,1H3,(H,25,28)(H,29,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329870 (4-(dibenzylcarbamoyl)-2-phenyl-1H-imidazole-5-carb...) Show SMILES OC(=O)c1nc([nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O3/c29-24(21-22(25(30)31)27-23(26-21)20-14-8-3-9-15-20)28(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,26,27)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329872 (4-((2-amino-2-oxoethyl)(methyl)carbamoyl)-2-phenyl...) Show SMILES CN(CC(N)=O)C(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C14H14N4O4/c1-18(7-9(15)19)13(20)10-11(14(21)22)17-12(16-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,15,19)(H,16,17)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305671 ((R)-2-(3-(1H-indol-2-yl)propanamido)-3-(1H-benzo[d...) Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)CCc1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C21H20N4O3/c26-20(10-9-14-11-13-5-1-2-6-15(13)22-14)25-18(21(27)28)12-19-23-16-7-3-4-8-17(16)24-19/h1-8,11,18,22H,9-10,12H2,(H,23,24)(H,25,26)(H,27,28)/t18-/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 PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305674 ((R)-3-(1H-benzo[d]imidazol-2-yl)-2-(2-methylfuran-...) Show SMILES Cc1occc1C(=O)N[C@H](Cc1nc2ccccc2[nH]1)C(O)=O |r| Show InChI InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305672 ((R)-3-(1H-benzo[d]imidazol-2-yl)-2-(3-phenylpropan...) Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329869 (4-(benzyl(2-ethoxy-2-oxoethyl)carbamoyl)-2-phenyl-...) Show SMILES CCOC(=O)CN(Cc1ccccc1)C(=O)c1[nH]c(nc1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C22H21N3O5/c1-2-30-17(26)14-25(13-15-9-5-3-6-10-15)21(27)18-19(22(28)29)24-20(23-18)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,23,24)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329871 (4-((carboxymethyl)(methyl)carbamoyl)-2-phenyl-1H-i...) Show SMILES CN(CC(O)=O)C(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C14H13N3O5/c1-17(7-9(18)19)13(20)10-11(14(21)22)16-12(15-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)(H,18,19)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305664 (5-cyano-1H-benzo[d]imidazole-2-carboxylic acid | C...) Show SMILES OC(=O)c1nc2ccc(cc2[nH]1)C#N Show InChI InChI=1S/C9H5N3O2/c10-4-5-1-2-6-7(3-5)12-8(11-6)9(13)14/h1-3H,(H,11,12)(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329867 (4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5...) Show SMILES OC(=O)c1[nH]c(nc1C(=O)N1CCOCC1)-c1ccccc1 Show InChI InChI=1S/C15H15N3O4/c19-14(18-6-8-22-9-7-18)11-12(15(20)21)17-13(16-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50009123 (5-methyl-1H-indole-2-carboxylic acid | 5-methylind...) Show SMILES Cc1ccc2[nH]c(cc2c1)C(O)=O Show InChI InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329861 (2-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxyl...) Show SMILES Cc1nc([nH]c1C(O)=O)-c1cccc(c1)C#N Show InChI InChI=1S/C12H9N3O2/c1-7-10(12(16)17)15-11(14-7)9-4-2-3-8(5-9)6-13/h2-5H,1H3,(H,14,15)(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329862 (2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOX...) Show SMILES Cc1nc([nH]c1C(O)=O)-c1cccc(Cl)c1 Show InChI InChI=1S/C11H9ClN2O2/c1-6-9(11(15)16)14-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329875 (2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-im...) Show SMILES OC(=O)c1[nH]c(nc1C(=O)N1CCOCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H14ClN3O4/c16-10-3-1-2-9(8-10)13-17-11(12(18-13)15(21)22)14(20)19-4-6-23-7-5-19/h1-3,8H,4-7H2,(H,17,18)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329859 (5-methyl-2-(3-(trifluoromethyl)phenyl)-1H-imidazol...) Show SMILES Cc1nc([nH]c1C(O)=O)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C12H9F3N2O2/c1-6-9(11(18)19)17-10(16-6)7-3-2-4-8(5-7)12(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329868 (4-(benzyl(methyl)carbamoyl)-2-phenyl-1H-imidazole-...) Show SMILES CN(Cc1ccccc1)C(=O)c1[nH]c(nc1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3/c1-22(12-13-8-4-2-5-9-13)18(23)15-16(19(24)25)21-17(20-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,20,21)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329860 (5-methyl-2-m-tolyl-1H-imidazole-4-carboxylic acid ...) Show SMILES Cc1nc([nH]c1C(O)=O)-c1cccc(C)c1 Show InChI InChI=1S/C12H12N2O2/c1-7-4-3-5-9(6-7)11-13-8(2)10(14-11)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305665 (5-methyl-1H-benzo[d]imidazole-2-carboxylic acid | ...) Show SMILES Cc1ccc2nc([nH]c2c1)C(O)=O Show InChI InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305670 ((R)-3-(1H-benzo[d]imidazol-2-yl)-2-propionamidopro...) Show SMILES CCC(=O)N[C@H](Cc1nc2ccccc2[nH]1)C(O)=O |r| Show InChI InChI=1S/C13H15N3O3/c1-2-12(17)16-10(13(18)19)7-11-14-8-5-3-4-6-9(8)15-11/h3-6,10H,2,7H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329864 (4-(methylcarbamoyl)-2-phenyl-1H-imidazole-5-carbox...) Show SMILES CNC(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C12H11N3O3/c1-13-11(16)8-9(12(17)18)15-10(14-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,16)(H,14,15)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305676 ((R)-methyl 3-(1H-benzo[d]imidazol-2-yl)-2-(5-(4-me...) Show SMILES COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(oc1C)-c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H23N3O5/c1-14-17(12-21(32-14)15-8-10-16(30-2)11-9-15)23(28)27-20(24(29)31-3)13-22-25-18-6-4-5-7-19(18)26-22/h4-12,20H,13H2,1-3H3,(H,25,26)(H,27,28)/t20-/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 PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329865 (4-(ethylcarbamoyl)-2-phenyl-1H-imidazole-5-carboxy...) Show SMILES CCNC(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C13H13N3O3/c1-2-14-12(17)9-10(13(18)19)16-11(15-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,17)(H,15,16)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329857 (2-phenyl-1H-imidazole-4-carboxylic acid | CHEMBL12...) Show SMILES OC(=O)c1cnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329866 (4-(benzylcarbamoyl)-2-phenyl-1H-imidazole-5-carbox...) Show SMILES OC(=O)c1nc([nH]c1C(=O)NCc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O3/c22-17(19-11-12-7-3-1-4-8-12)14-15(18(23)24)21-16(20-14)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,22)(H,20,21)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329863 (2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carbox...) Show SMILES COc1cccc(c1)-c1nc(C)c([nH]1)C(O)=O Show InChI InChI=1S/C12H12N2O3/c1-7-10(12(15)16)14-11(13-7)8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329858 (5-methyl-2-phenyl-1H-imidazole-4-carboxylic acid |...) Show SMILES Cc1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305669 (3-(1H-indol-2-yl)propanoic acid | CHEMBL595027) Show SMILES OC(=O)CCc1cc2ccccc2[nH]1 Show InChI InChI=1S/C11H11NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305666 (6-methyl-1H-indole-2-carboxylic acid | CHEMBL59600...) Show SMILES Cc1ccc2cc([nH]c2c1)C(O)=O Show InChI InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(10(12)13)11-8(7)4-6/h2-5,11H,1H3,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329856 (3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid | 3...) Show SMILES OC(=O)c1cc(n[nH]1)-c1ccccn1 Show InChI InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	7.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305668 (3-(1H-benzimidazol-2-yl)propanoic acid | 3-(1H-ben...) Show SMILES OC(=O)CCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	7.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50175430 (5-(2-METHOXYPHENYL)-2-FUROIC ACID | 5-(2-methoxyph...) Show SMILES COc1ccccc1-c1ccc(o1)C(O)=O Show InChI InChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305667 (CHEMBL595026 | N-ethyl-5-methyl-1H-benzo[d]imidazo...) Show SMILES CCNC(=O)c1nc2ccc(C)cc2[nH]1 Show InChI InChI=1S/C11H13N3O/c1-3-12-11(15)10-13-8-5-4-7(2)6-9(8)14-10/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50009123 (5-methyl-1H-indole-2-carboxylic acid | 5-methylind...) Show SMILES Cc1ccc2[nH]c(cc2c1)C(O)=O Show InChI InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity to 8His-tagged Pin1 (45-163) PPIase domain by surface plasmon resonance spectroscopy				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329853 (2-(3-fluorophenyl)-1H-imidazole-4,5-dicarboxylic a...) Show SMILES OC(=O)c1nc([nH]c1C(O)=O)-c1cccc(F)c1 Show InChI InChI=1S/C11H7FN2O4/c12-6-3-1-2-5(4-6)9-13-7(10(15)16)8(14-9)11(17)18/h1-4H,(H,13,14)(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity to Pin1 by isothermal calorimetry				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329855 (2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidaz...) Show SMILES OC(=O)c1nc([nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H20ClN3O3/c26-20-13-7-12-19(14-20)23-27-21(22(28-23)25(31)32)24(30)29(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,27,28)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity to Pin1 by isothermal calorimetry				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305673 ((R)-2-(benzo[b]thiophene-2-carboxamido)-3-(1H-benz...) Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity to 8His-tagged Pin1 (45-163) PPIase domain by surface plasmon resonance spectroscopy				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305679 ((R)-methyl 2-(5-(4-(aminomethyl)phenyl)-2-methylfu...) Show SMILES COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(oc1C)-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C24H24N4O4/c1-14-17(11-21(32-14)16-9-7-15(13-25)8-10-16)23(29)28-20(24(30)31-2)12-22-26-18-5-3-4-6-19(18)27-22/h3-11,20H,12-13,25H2,1-2H3,(H,26,27)(H,28,29)/t20-/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 PubMed	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity to 8His-tagged Pin1 (45-163) PPIase domain by surface plasmon resonance spectroscopy				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair

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