Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50031034   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
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))	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)