Compile Data Set for Download or QSAR

Found 587 hits with Last Name = 'cui' and Initial = 'g'   

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
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50172545 ((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [131I]-(R)-8				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50172553 (CHEMBL68641 | [1-(1-Methyl-piperidin-2-ylmethyl)-1...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50172545 ((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [3H]SR-141,716A				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [131I]-(R)-8				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50172553 (CHEMBL68641 | [1-(1-Methyl-piperidin-2-ylmethyl)-1...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50172545 ((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50172545 ((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50174549 ((4-Iodo-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H25IN2O/c1-28-15-7-6-8-18(28)16-29-17-23(21-11-4-5-12-25(21)29)26(30)22-13-14-24(27)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50314706 ((R)-2-(2-naphthamido)-5-(3-fluorophenyl)pent-4-eno...) Show SMILES OC(=O)[C@@H](C\C=C\c1cccc(F)c1)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H18FNO3/c23-19-9-3-5-15(13-19)6-4-10-20(22(26)27)24-21(25)18-12-11-16-7-1-2-8-17(16)14-18/h1-9,11-14,20H,10H2,(H,24,25)(H,26,27)/b6-4+/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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115878 BindingDB Entry DOI: 10.7270/Q21J9FDM
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM34012 (3-fluorophenylalanine derivative, 21b) Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C18H17FNO5PS/c19-14-6-3-4-12(8-14)9-15(11-25-26(22,23)24)20-18(21)17-10-13-5-1-2-7-16(13)27-17/h1-8,10,15H,9,11H2,(H,20,21)(H2,22,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Pin1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2020.115878 BindingDB Entry DOI: 10.7270/Q21J9FDM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50174548 ((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50174547 (CHEMBL436120 | [6-Iodo-1-(1-methyl-piperidin-2-ylm...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccc(I)cc12 Show InChI InChI=1S/C26H25IN2O/c1-28-14-5-4-9-20(28)16-29-17-24(22-13-12-19(27)15-25(22)29)26(30)23-11-6-8-18-7-2-3-10-21(18)23/h2-3,6-8,10-13,15,17,20H,4-5,9,14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50174549 ((4-Iodo-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H25IN2O/c1-28-15-7-6-8-18(28)16-29-17-23(21-11-4-5-12-25(21)29)26(30)22-13-14-24(27)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50174548 ((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50174547 (CHEMBL436120 | [6-Iodo-1-(1-methyl-piperidin-2-ylm...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccc(I)cc12 Show InChI InChI=1S/C26H25IN2O/c1-28-14-5-4-9-20(28)16-29-17-24(22-13-12-19(27)15-25(22)29)26(30)23-11-6-8-18-7-2-3-10-21(18)23/h2-3,6-8,10-13,15,17,20H,4-5,9,14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50552327 (CHEMBL4751817) Show SMILES C[C@H](OP(O)(O)=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-tagged Pin1 (unknown origin) using Suc-Ala-pSer-Pro-Phe-pNA as substrate preincubated with enzyme for 12 hrs followed by substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115878 BindingDB Entry DOI: 10.7270/Q21J9FDM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [3H]SR-141,716A				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50174548 ((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50174548 ((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50174548 ((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50174548 ((2-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccccc2I)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50552328 (CHEMBL4750217) Show SMILES CCOC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CCl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-tagged Pin1 (unknown origin) using Suc-Ala-pSer-Pro-Phe-pNA as substrate preincubated with enzyme for 12 hrs followed by substrate ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115878 BindingDB Entry DOI: 10.7270/Q21J9FDM
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50535516 (CHEMBL4542964) Show SMILES CCC(=O)[C@@H](NC(=O)[C@@H]1CCCNN1C(=O)[C@H](CC(C)C)CC(O)=O)C(C)C |r| Show InChI InChI=1S/C20H35N3O5/c1-6-16(24)18(13(4)5)22-19(27)15-8-7-9-21-23(15)20(28)14(10-12(2)3)11-17(25)26/h12-15,18,21H,6-11H2,1-5H3,(H,22,27)(H,25,26)/t14-,15+,18+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Escherichia coli PDF				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50370681 (CHEMBL1788276) Show SMILES CN1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 |r| Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50370681 (CHEMBL1788276) Show SMILES CN1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc12 |r| Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50174546 ((4-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccc(I)cc2)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-10-12-18(24)13-11-17)20-8-3-4-9-21(20)26(16)15-19-7-5-6-14-25(19)2/h3-4,8-13,19H,5-7,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-tagged Pin1 (unknown origin) using Suc-Ala-pSer-Pro-Phe-pNA, Suc-Ala-Glu-Pro-Phe-pNA or Suc-Ala-Ala-Pro-Phe-pNA as substrate preinc...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115878 BindingDB Entry DOI: 10.7270/Q21J9FDM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50174546 ((4-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2ccc(I)cc2)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-10-12-18(24)13-11-17)20-8-3-4-9-21(20)26(16)15-19-7-5-6-14-25(19)2/h3-4,8-13,19H,5-7,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50174545 ((3-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2cccc(I)c2)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-8-7-9-18(24)14-17)20-11-3-4-12-21(20)26(16)15-19-10-5-6-13-25(19)2/h3-4,7-9,11-12,14,19H,5-6,10,13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50174545 ((3-Iodo-phenyl)-[2-methyl-1-(1-methyl-piperidin-2-...) Show SMILES CN1CCCCC1Cn1c(C)c(C(=O)c2cccc(I)c2)c2ccccc12 Show InChI InChI=1S/C23H25IN2O/c1-16-22(23(27)17-8-7-9-18(24)14-17)20-11-3-4-12-21(20)26(16)15-19-10-5-6-13-25(19)2/h3-4,7-9,11-12,14,19H,5-6,10,13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535514 (CHEMBL4458398) Show SMILES Cc1nc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)sc1C |r| Show InChI InChI=1S/C20H31N5O4S/c1-13-14(2)30-20(22-13)23-18(27)17-8-5-9-21-25(17)19(28)16(11-24(29)12-26)10-15-6-3-4-7-15/h12,15-17,21,29H,3-11H2,1-2H3,(H,22,23,27)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by absorbance detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535509 (CHEMBL4457234) Show SMILES CCc1nnc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)s1 |r| Show InChI InChI=1S/C19H30N6O4S/c1-2-16-22-23-19(30-16)21-17(27)15-8-5-9-20-25(15)18(28)14(11-24(29)12-26)10-13-6-3-4-7-13/h12-15,20,29H,2-11H2,1H3,(H,21,23,27)/t14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by absorbance detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50268281 (CHEMBL4067999) Show SMILES Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CCC2CC2)C1 |r| Show InChI InChI=1S/C24H26FN5O3/c25-21-19(27-22(31)17-8-10-29(14-17)9-7-15-5-6-15)11-16(12-26-21)13-30-20-4-2-1-3-18(20)23(32)28-24(30)33/h1-4,11-12,15,17H,5-10,13-14H2,(H,27,31)(H,28,32,33)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences& Peking Union Medical College, Beijing 100050, C Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP-2 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after ...				Bioorg Med Chem 25: 4045-4054 (2017) Article DOI: 10.1016/j.bmc.2017.05.052 BindingDB Entry DOI: 10.7270/Q24Q7XFR
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535505 (CHEMBL4462876) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1cnccn1)C=O |r| Show InChI InChI=1S/C19H28N6O4/c26-13-24(29)12-15(10-14-4-1-2-5-14)19(28)25-16(6-3-7-22-25)18(27)23-17-11-20-8-9-21-17/h8-9,11,13-16,22,29H,1-7,10,12H2,(H,21,23,27)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by absorbance detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535513 (CHEMBL4572153) Show SMILES CN(C)c1cc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)ncn1 |r| Show InChI InChI=1S/C21H33N7O4/c1-26(2)19-11-18(22-13-23-19)25-20(30)17-8-5-9-24-28(17)21(31)16(12-27(32)14-29)10-15-6-3-4-7-15/h11,13-17,24,32H,3-10,12H2,1-2H3,(H,22,23,25,30)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by fluorescence detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50268281 (CHEMBL4067999) Show SMILES Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CCC2CC2)C1 |r| Show InChI InChI=1S/C24H26FN5O3/c25-21-19(27-22(31)17-8-10-29(14-17)9-7-15-5-6-15)11-16(12-26-21)13-30-20-4-2-1-3-18(20)23(32)28-24(30)33/h1-4,11-12,15,17H,5-10,13-14H2,(H,27,31)(H,28,32,33)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences& Peking Union Medical College, Beijing 100050, C Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP-1 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after ...				Bioorg Med Chem 25: 4045-4054 (2017) Article DOI: 10.1016/j.bmc.2017.05.052 BindingDB Entry DOI: 10.7270/Q24Q7XFR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences& Peking Union Medical College, Beijing 100050, C Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP-2 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after ...				Bioorg Med Chem 25: 4045-4054 (2017) Article DOI: 10.1016/j.bmc.2017.05.052 BindingDB Entry DOI: 10.7270/Q24Q7XFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Staphylococcus aureus)	BDBM50535512 (CHEMBL4434997) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1ccncn1)C=O |r| Show InChI InChI=1S/C19H28N6O4/c26-13-24(29)11-15(10-14-4-1-2-5-14)19(28)25-16(6-3-8-22-25)18(27)23-17-7-9-20-12-21-17/h7,9,12-16,22,29H,1-6,8,10-11H2,(H,20,21,23,27)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by absorbance detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535508 (CHEMBL4518477) Show SMILES Cc1ccc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)nc1 |r| Show InChI InChI=1S/C21H31N5O4/c1-15-8-9-19(22-12-15)24-20(28)18-7-4-10-23-26(18)21(29)17(13-25(30)14-27)11-16-5-2-3-6-16/h8-9,12,14,16-18,23,30H,2-7,10-11,13H2,1H3,(H,22,24,28)/t17-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by fluorescence detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535497 (CHEMBL4466084) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1ccccn1)C=O |r| Show InChI InChI=1S/C20H29N5O4/c26-14-24(29)13-16(12-15-6-1-2-7-15)20(28)25-17(8-5-11-22-25)19(27)23-18-9-3-4-10-21-18/h3-4,9-10,14-17,22,29H,1-2,5-8,11-13H2,(H,21,23,27)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by absorbance detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535515 (CHEMBL4559778) Show SMILES Cc1ccnc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)c1 |r| Show InChI InChI=1S/C21H31N5O4/c1-15-8-10-22-19(11-15)24-20(28)18-7-4-9-23-26(18)21(29)17(13-25(30)14-27)12-16-5-2-3-6-16/h8,10-11,14,16-18,23,30H,2-7,9,12-13H2,1H3,(H,22,24,28)/t17-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by fluorescence detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535500 (CHEMBL4568739) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1ccc(F)cn1)C=O |r| Show InChI InChI=1S/C20H28FN5O4/c21-16-7-8-18(22-11-16)24-19(28)17-6-3-9-23-26(17)20(29)15(12-25(30)13-27)10-14-4-1-2-5-14/h7-8,11,13-15,17,23,30H,1-6,9-10,12H2,(H,22,24,28)/t15-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by absorbance detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535518 (CHEMBL4448951) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1cccnn1)C=O |r| Show InChI InChI=1S/C19H28N6O4/c26-13-24(29)12-15(11-14-5-1-2-6-14)19(28)25-16(7-3-10-21-25)18(27)22-17-8-4-9-20-23-17/h4,8-9,13-16,21,29H,1-3,5-7,10-12H2,(H,22,23,27)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by absorbance detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50268267 (CHEMBL4083291) Show SMILES Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CCC(F)(F)F)C1 |r| Show InChI InChI=1S/C22H21F4N5O3/c23-18-16(28-19(32)14-5-7-30(12-14)8-6-22(24,25)26)9-13(10-27-18)11-31-17-4-2-1-3-15(17)20(33)29-21(31)34/h1-4,9-10,14H,5-8,11-12H2,(H,28,32)(H,29,33,34)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences& Peking Union Medical College, Beijing 100050, C Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP-2 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after ...				Bioorg Med Chem 25: 4045-4054 (2017) Article DOI: 10.1016/j.bmc.2017.05.052 BindingDB Entry DOI: 10.7270/Q24Q7XFR
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535504 (CHEMBL4565584) Show SMILES CN1CCN(CC1)c1cc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)ncn1 |r| Show InChI InChI=1S/C24H38N8O4/c1-29-9-11-30(12-10-29)22-14-21(25-16-26-22)28-23(34)20-7-4-8-27-32(20)24(35)19(15-31(36)17-33)13-18-5-2-3-6-18/h14,16-20,27,36H,2-13,15H2,1H3,(H,25,26,28,34)/t19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by fluorescence detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50268267 (CHEMBL4083291) Show SMILES Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CCC(F)(F)F)C1 |r| Show InChI InChI=1S/C22H21F4N5O3/c23-18-16(28-19(32)14-5-7-30(12-14)8-6-22(24,25)26)9-13(10-27-18)11-31-17-4-2-1-3-15(17)20(33)29-21(31)34/h1-4,9-10,14H,5-8,11-12H2,(H,28,32)(H,29,33,34)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences& Peking Union Medical College, Beijing 100050, C Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP-1 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after ...				Bioorg Med Chem 25: 4045-4054 (2017) Article DOI: 10.1016/j.bmc.2017.05.052 BindingDB Entry DOI: 10.7270/Q24Q7XFR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50268268 (CHEMBL4061458) Show SMILES Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CC2CC2)C1 |r| Show InChI InChI=1S/C23H24FN5O3/c24-20-18(26-21(30)16-7-8-28(13-16)11-14-5-6-14)9-15(10-25-20)12-29-19-4-2-1-3-17(19)22(31)27-23(29)32/h1-4,9-10,14,16H,5-8,11-13H2,(H,26,30)(H,27,31,32)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences& Peking Union Medical College, Beijing 100050, C Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP-2 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after ...				Bioorg Med Chem 25: 4045-4054 (2017) Article DOI: 10.1016/j.bmc.2017.05.052 BindingDB Entry DOI: 10.7270/Q24Q7XFR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50268284 (CHEMBL4100719) Show SMILES Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(C1)c1ccccc1 |r| Show InChI InChI=1S/C25H22FN5O3/c26-22-20(28-23(32)17-10-11-30(15-17)18-6-2-1-3-7-18)12-16(13-27-22)14-31-21-9-5-4-8-19(21)24(33)29-25(31)34/h1-9,12-13,17H,10-11,14-15H2,(H,28,32)(H,29,33,34)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences& Peking Union Medical College, Beijing 100050, C Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP-2 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after ...				Bioorg Med Chem 25: 4045-4054 (2017) Article DOI: 10.1016/j.bmc.2017.05.052 BindingDB Entry DOI: 10.7270/Q24Q7XFR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50268277 (CHEMBL4072243) Show SMILES Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(C1)C(=O)C1CC1 |r| Show InChI InChI=1S/C23H22FN5O4/c24-19-17(26-20(30)15-7-8-28(12-15)22(32)14-5-6-14)9-13(10-25-19)11-29-18-4-2-1-3-16(18)21(31)27-23(29)33/h1-4,9-10,14-15H,5-8,11-12H2,(H,26,30)(H,27,31,33)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation, Institute of Materia Medica, Chinese Academy of Medical Sciences& Peking Union Medical College, Beijing 100050, C Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP-2 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after ...				Bioorg Med Chem 25: 4045-4054 (2017) Article DOI: 10.1016/j.bmc.2017.05.052 BindingDB Entry DOI: 10.7270/Q24Q7XFR
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50535501 (CHEMBL4435970) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1ccccc1)C=O |r| Show InChI InChI=1S/C21H30N4O4/c26-15-24(29)14-17(13-16-7-4-5-8-16)21(28)25-19(11-6-12-22-25)20(27)23-18-9-2-1-3-10-18/h1-3,9-10,15-17,19,22,29H,4-8,11-14H2,(H,23,27)/t17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by absorbance detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
					More data for this Ligand-Target Pair

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