Compile Data Set for Download or QSAR

Found 2040 hits Enz. Inhib. hit(s) with all data for entry = 50047254   

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
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583500 (US11524959, Compound 392. | methyl 6-(2-{5-[(1R,4R...) Show SMILES COC(=O)c1ccc2cc(ccc2n1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:41:40:38.37:35.34| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583204 (N-[3-(2-(5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(NS(=O)(=O)C=C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583495 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4ncnc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583501 (4-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c(C(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM584051 (US11524959, Compound 943.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3C)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583308 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)[nH]c(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583578 (US11524959, Compound 470.) Show SMILES Cn1c(nc2cc(cc(F)c12)C(=O)N1CC2CCC1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)-c1ccc2CNC(=O)c2c1 |TLB:20:19:13.14:16.17| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583503 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4nncc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM646150 (N-((R)-1-(2-(5-((1R,2R,4S)-2- amino-7-azabicyclo[2...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(C)c3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583260 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CNC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583584 (US11524959, Compound 476.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4nc(O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583496 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(O)cnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583472 (4-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1)C(N)=O |r,THB:35:34:32.31:29.28| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583475 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c4NC(=O)CCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:39.40| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583483 (4-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:37.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50595779 (CHEMBL5180282) Show SMILES [H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)[C@@H](C)N1CCOC1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00387 BindingDB Entry DOI: 10.7270/Q2Z60T3N
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583588 (US11524959, Compound 480.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(O)ccnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583807 (US11524959, Compound 699.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3)N3CCC(O)C3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583314 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583213 (US11524959, Compound 105. | {4-[(2-{5-[(1R,4R,7R)-...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(CO)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM584110 (US11524959, Compound 1002. | US11524959, Compound ...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(O)C(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM584173 (US11524959, Compound 1065.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC(CC3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583884 (US11524959, Compound 776.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4NC(=O)COc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583323 (5-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4NC(=O)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583601 (US11524959, Compound 493.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4c(O)nccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583573 (US11524959, Compound 465. | US11524959, Compound 4...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4[nH]c(=O)ccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583237 (5-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4C(=O)NCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583468 ((1R,4R,7R)-2-{2-[1- (cyclopropyljmethyl)-6-(2- met...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4nc(C)ccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50595777 (CHEMBL5187676) Show SMILES [H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)[C@@H](C)NC(=O)N1CCO[C@@H](C)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00387 BindingDB Entry DOI: 10.7270/Q2Z60T3N
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583967 (US11524959, Compound 859.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3C#N)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583319 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4[nH]c(=O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583298 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4[nH]c(=O)[nH]c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583443 (4-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583713 (US11524959, Compound 605.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c4NC(=O)Cc4ccc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583678 (US11524959, Compound 570.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4[nH]c(=O)[nH]c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583325 (6-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(cc[nH]c4=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583583 (US11524959, Compound 475.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4nc(O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583231 (5-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4C(=O)NCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583160 ((1R,4R,7R)-2-{2-[1- (cyclopropylmethyl)-6-[(2- met...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(C)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM646149 (N-((R)-1-(2-(5-((1R,2R,4S)-2- amino-7-azabicyclo[2...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(C3)(C4)C#N)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:37:39:44.46:42.41| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	18.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM646246 ((R)-N-((R)-1-(2-(5-((1R,2R,4S)-2- amino-7-azabicyc...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)N3CC[C@@H](F)C3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	18.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM646113 (((1R,2R,4S)-2-amino-7- azabicyclo[2.2.1]heptan-7-y...) Show SMILES C[C@H]1CCCS(=O)(=O)N1c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)C4)n(CC3CC3)c2n1 |r,THB:27:29:34.36:32.31| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	18.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50595776 (CHEMBL5201255) Show SMILES [H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)[C@@H](C)NC(=O)CCC(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00387 BindingDB Entry DOI: 10.7270/Q2Z60T3N
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM584035 (US11524959, Compound 927.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3nnc4ccccn34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583831 (US11524959, Compound 723.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)-c3c[nH]c(=O)[nH]3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583853 (US11524959, Compound 745.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(=O)[nH]3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:34.35:37.38| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583876 (US11524959, Compound 768.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4CNC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583613 (US11524959, Compound 505.) Show SMILES COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4CNC(=O)c4c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583465 (4-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(cc3F)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair
Protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM583466 (5-(2-{5-[(1R,4R,7R)-7-amino-2- azabicyclo[2.2.1]he...) Show SMILES COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(nc3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WQ07NB
					More data for this Ligand-Target Pair

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