Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'johnston' and Initial = 'ka'   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571879 (CHEMBL4848094) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571880 (CHEMBL4851220) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](COC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(10.11,-4.67,;10.52,-6.16,;9.2,-5.38,;7.87,-6.16,;7.87,-7.7,;9.2,-8.46,;10.52,-7.7,;6.54,-8.47,;5.2,-7.7,;3.86,-8.47,;3.87,-10.02,;5.21,-10.77,;5.22,-12.31,;3.9,-13.08,;6.54,-10,;7.87,-10.77,;9.2,-10,;7.88,-12.3,;11.86,-5.39,;11.86,-3.85,;13.2,-3.09,;13.2,-1.56,;13.19,-6.16,;13.19,-7.71,;11.85,-8.48,;14.52,-8.48,;14.51,-10.02,;15.84,-10.79,;17.18,-10.03,;18.52,-10.8,;17.18,-8.48,;15.85,-7.71,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571881 (CHEMBL4845988) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(66.33,-47.56,;66.74,-49.04,;65.42,-48.27,;64.08,-49.04,;64.08,-50.59,;65.42,-51.35,;66.74,-50.59,;62.75,-51.36,;61.41,-50.59,;60.08,-51.36,;60.08,-52.91,;61.43,-53.66,;61.44,-55.2,;60.12,-55.97,;62.76,-52.89,;64.09,-53.65,;65.41,-52.88,;64.09,-55.19,;68.08,-48.28,;68.08,-46.74,;69.41,-45.98,;69.41,-49.05,;69.41,-50.59,;68.07,-51.36,;70.74,-51.37,;70.73,-52.91,;72.06,-53.68,;73.4,-52.92,;74.73,-53.69,;73.4,-51.37,;72.07,-50.6,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50550026 (CHEMBL4786690) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571883 (CHEMBL4868709) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(28.06,-49.01,;28.46,-50.5,;27.14,-49.72,;25.81,-50.5,;25.81,-52.04,;27.14,-52.81,;28.46,-52.04,;24.48,-52.82,;23.14,-52.04,;21.81,-52.82,;21.81,-54.36,;23.16,-55.12,;23.17,-56.65,;21.84,-57.42,;24.48,-54.34,;25.81,-55.11,;29.8,-49.73,;29.81,-48.19,;31.14,-47.43,;31.14,-50.51,;31.13,-52.05,;29.79,-52.82,;32.46,-52.82,;32.45,-54.36,;33.78,-55.13,;35.12,-54.37,;36.46,-55.14,;35.12,-52.82,;33.79,-52.05,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50550026 (CHEMBL4786690) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571879 (CHEMBL4848094) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571883 (CHEMBL4868709) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(28.06,-49.01,;28.46,-50.5,;27.14,-49.72,;25.81,-50.5,;25.81,-52.04,;27.14,-52.81,;28.46,-52.04,;24.48,-52.82,;23.14,-52.04,;21.81,-52.82,;21.81,-54.36,;23.16,-55.12,;23.17,-56.65,;21.84,-57.42,;24.48,-54.34,;25.81,-55.11,;29.8,-49.73,;29.81,-48.19,;31.14,-47.43,;31.14,-50.51,;31.13,-52.05,;29.79,-52.82,;32.46,-52.82,;32.45,-54.36,;33.78,-55.13,;35.12,-54.37,;36.46,-55.14,;35.12,-52.82,;33.79,-52.05,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571886 (CHEMBL4861763) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccncc1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,14.16,wD:1.0,(48.54,-31.73,;48.95,-33.21,;47.63,-32.44,;46.29,-33.21,;46.29,-34.76,;47.63,-35.52,;48.95,-34.76,;44.96,-35.53,;43.62,-34.76,;42.29,-35.53,;42.29,-37.08,;43.64,-37.83,;44.97,-37.06,;46.3,-37.82,;50.29,-32.45,;50.29,-30.91,;51.62,-33.22,;51.62,-34.76,;50.28,-35.53,;52.95,-35.54,;52.94,-37.08,;54.27,-37.85,;55.61,-37.09,;56.94,-37.86,;55.61,-35.54,;54.28,-34.77,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571884 (CHEMBL4859400) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(F)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(7.89,-49.37,;8.3,-50.85,;6.98,-50.08,;5.64,-50.85,;5.64,-52.39,;6.98,-53.16,;8.3,-52.39,;4.31,-53.17,;2.98,-52.39,;1.64,-53.17,;1.64,-54.71,;2.99,-55.47,;3,-57,;4.32,-54.7,;5.65,-55.46,;9.64,-50.09,;9.64,-48.55,;10.97,-50.86,;10.97,-52.4,;9.63,-53.17,;12.3,-53.18,;12.29,-54.72,;13.62,-55.49,;14.96,-54.73,;16.29,-55.49,;14.96,-53.18,;13.63,-52.41,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571882 (CHEMBL4860353) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(48.04,-48.32,;48.45,-49.8,;47.12,-49.03,;45.79,-49.8,;45.79,-51.34,;47.12,-52.11,;48.45,-51.34,;44.46,-52.12,;43.12,-51.35,;41.79,-52.12,;41.79,-53.66,;43.14,-54.42,;43.15,-55.96,;41.83,-56.73,;44.47,-53.65,;45.8,-54.41,;49.78,-49.04,;49.79,-47.5,;51.12,-46.74,;51.12,-49.81,;51.11,-51.35,;49.78,-52.12,;52.45,-52.13,;52.43,-53.67,;53.77,-54.44,;55.11,-53.68,;56.44,-54.45,;55.11,-52.13,;53.77,-51.36,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571885 (CHEMBL4877466) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(67.15,-31.42,;67.56,-32.91,;66.24,-32.13,;64.9,-32.91,;64.9,-34.45,;66.24,-35.21,;67.56,-34.45,;63.57,-35.22,;62.23,-34.45,;60.9,-35.22,;60.9,-36.77,;62.25,-37.52,;62.26,-39.06,;63.58,-36.75,;64.91,-37.52,;68.9,-32.14,;68.9,-30.6,;70.23,-32.91,;70.23,-34.45,;68.89,-35.22,;71.56,-35.23,;71.55,-36.77,;72.88,-37.54,;74.22,-36.78,;75.55,-37.55,;74.22,-35.23,;72.89,-34.46,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571880 (CHEMBL4851220) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](COC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(10.11,-4.67,;10.52,-6.16,;9.2,-5.38,;7.87,-6.16,;7.87,-7.7,;9.2,-8.46,;10.52,-7.7,;6.54,-8.47,;5.2,-7.7,;3.86,-8.47,;3.87,-10.02,;5.21,-10.77,;5.22,-12.31,;3.9,-13.08,;6.54,-10,;7.87,-10.77,;9.2,-10,;7.88,-12.3,;11.86,-5.39,;11.86,-3.85,;13.2,-3.09,;13.2,-1.56,;13.19,-6.16,;13.19,-7.71,;11.85,-8.48,;14.52,-8.48,;14.51,-10.02,;15.84,-10.79,;17.18,-10.03,;18.52,-10.8,;17.18,-8.48,;15.85,-7.71,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571881 (CHEMBL4845988) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(66.33,-47.56,;66.74,-49.04,;65.42,-48.27,;64.08,-49.04,;64.08,-50.59,;65.42,-51.35,;66.74,-50.59,;62.75,-51.36,;61.41,-50.59,;60.08,-51.36,;60.08,-52.91,;61.43,-53.66,;61.44,-55.2,;60.12,-55.97,;62.76,-52.89,;64.09,-53.65,;65.41,-52.88,;64.09,-55.19,;68.08,-48.28,;68.08,-46.74,;69.41,-45.98,;69.41,-49.05,;69.41,-50.59,;68.07,-51.36,;70.74,-51.37,;70.73,-52.91,;72.06,-53.68,;73.4,-52.92,;74.73,-53.69,;73.4,-51.37,;72.07,-50.6,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571884 (CHEMBL4859400) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(F)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(7.89,-49.37,;8.3,-50.85,;6.98,-50.08,;5.64,-50.85,;5.64,-52.39,;6.98,-53.16,;8.3,-52.39,;4.31,-53.17,;2.98,-52.39,;1.64,-53.17,;1.64,-54.71,;2.99,-55.47,;3,-57,;4.32,-54.7,;5.65,-55.46,;9.64,-50.09,;9.64,-48.55,;10.97,-50.86,;10.97,-52.4,;9.63,-53.17,;12.3,-53.18,;12.29,-54.72,;13.62,-55.49,;14.96,-54.73,;16.29,-55.49,;14.96,-53.18,;13.63,-52.41,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571881 (CHEMBL4845988) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(66.33,-47.56,;66.74,-49.04,;65.42,-48.27,;64.08,-49.04,;64.08,-50.59,;65.42,-51.35,;66.74,-50.59,;62.75,-51.36,;61.41,-50.59,;60.08,-51.36,;60.08,-52.91,;61.43,-53.66,;61.44,-55.2,;60.12,-55.97,;62.76,-52.89,;64.09,-53.65,;65.41,-52.88,;64.09,-55.19,;68.08,-48.28,;68.08,-46.74,;69.41,-45.98,;69.41,-49.05,;69.41,-50.59,;68.07,-51.36,;70.74,-51.37,;70.73,-52.91,;72.06,-53.68,;73.4,-52.92,;74.73,-53.69,;73.4,-51.37,;72.07,-50.6,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571885 (CHEMBL4877466) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(67.15,-31.42,;67.56,-32.91,;66.24,-32.13,;64.9,-32.91,;64.9,-34.45,;66.24,-35.21,;67.56,-34.45,;63.57,-35.22,;62.23,-34.45,;60.9,-35.22,;60.9,-36.77,;62.25,-37.52,;62.26,-39.06,;63.58,-36.75,;64.91,-37.52,;68.9,-32.14,;68.9,-30.6,;70.23,-32.91,;70.23,-34.45,;68.89,-35.22,;71.56,-35.23,;71.55,-36.77,;72.88,-37.54,;74.22,-36.78,;75.55,-37.55,;74.22,-35.23,;72.89,-34.46,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571886 (CHEMBL4861763) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccncc1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,14.16,wD:1.0,(48.54,-31.73,;48.95,-33.21,;47.63,-32.44,;46.29,-33.21,;46.29,-34.76,;47.63,-35.52,;48.95,-34.76,;44.96,-35.53,;43.62,-34.76,;42.29,-35.53,;42.29,-37.08,;43.64,-37.83,;44.97,-37.06,;46.3,-37.82,;50.29,-32.45,;50.29,-30.91,;51.62,-33.22,;51.62,-34.76,;50.28,-35.53,;52.95,-35.54,;52.94,-37.08,;54.27,-37.85,;55.61,-37.09,;56.94,-37.86,;55.61,-35.54,;54.28,-34.77,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571883 (CHEMBL4868709) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(28.06,-49.01,;28.46,-50.5,;27.14,-49.72,;25.81,-50.5,;25.81,-52.04,;27.14,-52.81,;28.46,-52.04,;24.48,-52.82,;23.14,-52.04,;21.81,-52.82,;21.81,-54.36,;23.16,-55.12,;23.17,-56.65,;21.84,-57.42,;24.48,-54.34,;25.81,-55.11,;29.8,-49.73,;29.81,-48.19,;31.14,-47.43,;31.14,-50.51,;31.13,-52.05,;29.79,-52.82,;32.46,-52.82,;32.45,-54.36,;33.78,-55.13,;35.12,-54.37,;36.46,-55.14,;35.12,-52.82,;33.79,-52.05,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571882 (CHEMBL4860353) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(48.04,-48.32,;48.45,-49.8,;47.12,-49.03,;45.79,-49.8,;45.79,-51.34,;47.12,-52.11,;48.45,-51.34,;44.46,-52.12,;43.12,-51.35,;41.79,-52.12,;41.79,-53.66,;43.14,-54.42,;43.15,-55.96,;41.83,-56.73,;44.47,-53.65,;45.8,-54.41,;49.78,-49.04,;49.79,-47.5,;51.12,-46.74,;51.12,-49.81,;51.11,-51.35,;49.78,-52.12,;52.45,-52.13,;52.43,-53.67,;53.77,-54.44,;55.11,-53.68,;56.44,-54.45,;55.11,-52.13,;53.77,-51.36,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571880 (CHEMBL4851220) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](COC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(10.11,-4.67,;10.52,-6.16,;9.2,-5.38,;7.87,-6.16,;7.87,-7.7,;9.2,-8.46,;10.52,-7.7,;6.54,-8.47,;5.2,-7.7,;3.86,-8.47,;3.87,-10.02,;5.21,-10.77,;5.22,-12.31,;3.9,-13.08,;6.54,-10,;7.87,-10.77,;9.2,-10,;7.88,-12.3,;11.86,-5.39,;11.86,-3.85,;13.2,-3.09,;13.2,-1.56,;13.19,-6.16,;13.19,-7.71,;11.85,-8.48,;14.52,-8.48,;14.51,-10.02,;15.84,-10.79,;17.18,-10.03,;18.52,-10.8,;17.18,-8.48,;15.85,-7.71,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571887 (CHEMBL4859579) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:14.16,1.0,wD:4.7,(28.48,-32.3,;28.88,-33.79,;28.88,-35.33,;27.56,-36.1,;26.23,-35.33,;26.23,-33.79,;27.56,-33.01,;24.9,-36.11,;23.56,-35.33,;22.23,-36.11,;22.23,-37.65,;23.58,-38.41,;23.59,-39.94,;24.9,-37.64,;30.22,-33.03,;30.23,-31.48,;31.56,-33.8,;31.55,-35.34,;30.21,-36.11,;32.88,-36.12,;32.87,-37.65,;34.2,-38.42,;35.54,-37.66,;36.88,-38.43,;35.54,-36.11,;34.21,-35.34,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571879 (CHEMBL4848094) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571893 (CHEMBL4860098) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1ccc(OC(F)F)cc1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:17.19,wD:4.7,1.0,(67.41,-4.38,;67.82,-5.87,;67.82,-7.41,;66.5,-8.18,;65.17,-7.41,;65.17,-5.87,;66.5,-5.1,;63.84,-8.19,;62.5,-7.41,;61.16,-8.19,;61.17,-9.73,;59.84,-10.5,;58.51,-9.75,;57.19,-10.52,;58.5,-8.21,;62.51,-10.49,;63.84,-9.72,;69.16,-5.11,;69.16,-3.57,;67.84,-2.8,;70.49,-5.88,;70.49,-7.42,;69.15,-8.19,;71.82,-8.2,;71.81,-9.74,;73.14,-10.51,;74.48,-9.74,;75.82,-10.51,;74.48,-8.19,;73.15,-7.42,)| Show InChI	PDB MMDB Reactome pathway 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					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571887 (CHEMBL4859579) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:14.16,1.0,wD:4.7,(28.48,-32.3,;28.88,-33.79,;28.88,-35.33,;27.56,-36.1,;26.23,-35.33,;26.23,-33.79,;27.56,-33.01,;24.9,-36.11,;23.56,-35.33,;22.23,-36.11,;22.23,-37.65,;23.58,-38.41,;23.59,-39.94,;24.9,-37.64,;30.22,-33.03,;30.23,-31.48,;31.56,-33.8,;31.55,-35.34,;30.21,-36.11,;32.88,-36.12,;32.87,-37.65,;34.2,-38.42,;35.54,-37.66,;36.88,-38.43,;35.54,-36.11,;34.21,-35.34,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571891 (CHEMBL4849714) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cncc(OC)c1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,wD:4.7,1.0,(27.52,-17.21,;27.93,-18.7,;27.93,-20.24,;26.61,-21.01,;25.28,-20.24,;25.28,-18.7,;26.61,-17.93,;23.94,-21.02,;22.61,-20.24,;21.27,-21.02,;21.27,-22.56,;22.62,-23.32,;22.63,-24.85,;21.31,-25.63,;23.95,-22.55,;29.27,-17.94,;29.27,-16.4,;30.6,-15.63,;30.6,-18.71,;30.6,-20.25,;29.26,-21.02,;31.93,-21.03,;31.92,-22.57,;33.25,-23.34,;34.59,-22.57,;35.92,-23.34,;34.59,-21.03,;33.26,-20.25,)| Show InChI	PDB MMDB Reactome pathway 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					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571882 (CHEMBL4860353) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(48.04,-48.32,;48.45,-49.8,;47.12,-49.03,;45.79,-49.8,;45.79,-51.34,;47.12,-52.11,;48.45,-51.34,;44.46,-52.12,;43.12,-51.35,;41.79,-52.12,;41.79,-53.66,;43.14,-54.42,;43.15,-55.96,;41.83,-56.73,;44.47,-53.65,;45.8,-54.41,;49.78,-49.04,;49.79,-47.5,;51.12,-46.74,;51.12,-49.81,;51.11,-51.35,;49.78,-52.12,;52.45,-52.13,;52.43,-53.67,;53.77,-54.44,;55.11,-53.68,;56.44,-54.45,;55.11,-52.13,;53.77,-51.36,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571895 (CHEMBL4860594) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cccc(=O)n1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,wD:4.7,1.0,(26.68,-3.83,;27.08,-5.32,;27.08,-6.86,;25.76,-7.62,;24.43,-6.86,;24.43,-5.32,;25.76,-4.54,;23.1,-7.63,;21.76,-6.86,;20.43,-7.63,;20.43,-9.17,;21.78,-9.93,;21.79,-11.46,;23.1,-9.17,;24.43,-9.93,;28.42,-4.55,;28.43,-3.01,;27.1,-2.24,;29.75,-5.32,;29.75,-6.86,;28.41,-7.63,;31.08,-7.64,;31.07,-9.18,;32.4,-9.95,;33.74,-9.19,;35.07,-9.96,;33.74,-7.64,;32.41,-6.87,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571891 (CHEMBL4849714) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cncc(OC)c1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,wD:4.7,1.0,(27.52,-17.21,;27.93,-18.7,;27.93,-20.24,;26.61,-21.01,;25.28,-20.24,;25.28,-18.7,;26.61,-17.93,;23.94,-21.02,;22.61,-20.24,;21.27,-21.02,;21.27,-22.56,;22.62,-23.32,;22.63,-24.85,;21.31,-25.63,;23.95,-22.55,;29.27,-17.94,;29.27,-16.4,;30.6,-15.63,;30.6,-18.71,;30.6,-20.25,;29.26,-21.02,;31.93,-21.03,;31.92,-22.57,;33.25,-23.34,;34.59,-22.57,;35.92,-23.34,;34.59,-21.03,;33.26,-20.25,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571888 (CHEMBL4847982) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cccc(n1)C(F)(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,17.19,1.0,(8.43,-31.44,;8.83,-32.93,;7.51,-32.15,;6.18,-32.93,;6.18,-34.47,;7.51,-35.23,;8.83,-34.47,;4.85,-35.25,;3.51,-34.47,;2.18,-35.24,;2.18,-36.79,;3.53,-37.55,;4.85,-36.77,;3.53,-39.08,;5.06,-39.08,;4.3,-40.4,;2.21,-39.85,;10.17,-32.16,;10.18,-30.62,;11.51,-29.86,;11.51,-32.94,;11.5,-34.48,;10.16,-35.25,;12.83,-35.25,;12.82,-36.79,;14.15,-37.56,;15.49,-36.8,;16.83,-37.57,;15.49,-35.25,;14.16,-34.48,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571888 (CHEMBL4847982) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cccc(n1)C(F)(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,17.19,1.0,(8.43,-31.44,;8.83,-32.93,;7.51,-32.15,;6.18,-32.93,;6.18,-34.47,;7.51,-35.23,;8.83,-34.47,;4.85,-35.25,;3.51,-34.47,;2.18,-35.24,;2.18,-36.79,;3.53,-37.55,;4.85,-36.77,;3.53,-39.08,;5.06,-39.08,;4.3,-40.4,;2.21,-39.85,;10.17,-32.16,;10.18,-30.62,;11.51,-29.86,;11.51,-32.94,;11.5,-34.48,;10.16,-35.25,;12.83,-35.25,;12.82,-36.79,;14.15,-37.56,;15.49,-36.8,;16.83,-37.57,;15.49,-35.25,;14.16,-34.48,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571894 (CHEMBL4849654) Show SMILES [H][C@]1(CC[C@@H](CC1)c1cccc2OC(F)(F)Oc12)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(46.02,-2.97,;46.43,-4.45,;45.11,-3.68,;43.78,-4.45,;43.78,-5.99,;45.11,-6.76,;46.43,-5.99,;42.44,-6.77,;41.11,-6,;39.77,-6.77,;39.77,-8.31,;41.12,-9.07,;41.44,-10.57,;42.97,-10.72,;44.29,-11.49,;42.97,-12.26,;43.59,-9.32,;42.45,-8.3,;47.77,-3.69,;47.77,-2.15,;49.1,-1.39,;49.1,-4.46,;49.1,-6,;47.76,-6.77,;50.43,-6.78,;50.42,-8.32,;51.75,-9.09,;53.09,-8.33,;54.42,-9.09,;53.09,-6.78,;51.76,-6.01,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571884 (CHEMBL4859400) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(F)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(7.89,-49.37,;8.3,-50.85,;6.98,-50.08,;5.64,-50.85,;5.64,-52.39,;6.98,-53.16,;8.3,-52.39,;4.31,-53.17,;2.98,-52.39,;1.64,-53.17,;1.64,-54.71,;2.99,-55.47,;3,-57,;4.32,-54.7,;5.65,-55.46,;9.64,-50.09,;9.64,-48.55,;10.97,-50.86,;10.97,-52.4,;9.63,-53.17,;12.3,-53.18,;12.29,-54.72,;13.62,-55.49,;14.96,-54.73,;16.29,-55.49,;14.96,-53.18,;13.63,-52.41,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571889 (CHEMBL4857086) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cccc(C)n1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,14.16,1.0,(66.36,-17.04,;66.76,-18.53,;65.44,-17.75,;64.11,-18.53,;64.11,-20.07,;65.44,-20.84,;66.76,-20.07,;62.78,-20.85,;61.44,-20.07,;60.11,-20.85,;60.11,-22.39,;61.46,-23.15,;61.47,-24.68,;62.79,-22.38,;68.1,-17.77,;68.11,-16.23,;69.44,-15.46,;69.44,-18.54,;69.43,-20.08,;68.09,-20.85,;70.76,-20.86,;70.75,-22.39,;72.08,-23.16,;73.42,-22.4,;74.76,-23.17,;73.42,-20.85,;72.09,-20.08,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50344327 (2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...) Show SMILES COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(nn12)C(C)C Show InChI InChI=1S/C22H22N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571893 (CHEMBL4860098) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1ccc(OC(F)F)cc1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:17.19,wD:4.7,1.0,(67.41,-4.38,;67.82,-5.87,;67.82,-7.41,;66.5,-8.18,;65.17,-7.41,;65.17,-5.87,;66.5,-5.1,;63.84,-8.19,;62.5,-7.41,;61.16,-8.19,;61.17,-9.73,;59.84,-10.5,;58.51,-9.75,;57.19,-10.52,;58.5,-8.21,;62.51,-10.49,;63.84,-9.72,;69.16,-5.11,;69.16,-3.57,;67.84,-2.8,;70.49,-5.88,;70.49,-7.42,;69.15,-8.19,;71.82,-8.2,;71.81,-9.74,;73.14,-10.51,;74.48,-9.74,;75.82,-10.51,;74.48,-8.19,;73.15,-7.42,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571892 (CHEMBL4854619) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1nccc(OC)n1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,1.0,(8.83,-18.03,;9.24,-19.51,;7.91,-18.74,;6.58,-19.51,;6.58,-21.05,;7.91,-21.82,;9.24,-21.05,;5.25,-21.83,;3.91,-21.06,;2.58,-21.83,;2.58,-23.37,;3.93,-24.13,;3.94,-25.66,;2.62,-26.44,;5.26,-23.36,;10.57,-18.75,;10.58,-17.21,;11.91,-16.45,;11.91,-19.52,;11.9,-21.06,;10.56,-21.83,;13.24,-21.84,;13.22,-23.38,;14.56,-24.15,;15.9,-23.39,;17.23,-24.16,;15.89,-21.84,;14.56,-21.07,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571895 (CHEMBL4860594) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cccc(=O)n1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,wD:4.7,1.0,(26.68,-3.83,;27.08,-5.32,;27.08,-6.86,;25.76,-7.62,;24.43,-6.86,;24.43,-5.32,;25.76,-4.54,;23.1,-7.63,;21.76,-6.86,;20.43,-7.63,;20.43,-9.17,;21.78,-9.93,;21.79,-11.46,;23.1,-9.17,;24.43,-9.93,;28.42,-4.55,;28.43,-3.01,;27.1,-2.24,;29.75,-5.32,;29.75,-6.86,;28.41,-7.63,;31.08,-7.64,;31.07,-9.18,;32.4,-9.95,;33.74,-9.19,;35.07,-9.96,;33.74,-7.64,;32.41,-6.87,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50344329 (2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...) Show SMILES COc1ccc(C2=NN(Cc3ccccc3)C(=O)CC2)c2cc(nn12)C(C)C |t:6| Show InChI InChI=1S/C22H24N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-9,12-13,15H,10-11,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571889 (CHEMBL4857086) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cccc(C)n1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,14.16,1.0,(66.36,-17.04,;66.76,-18.53,;65.44,-17.75,;64.11,-18.53,;64.11,-20.07,;65.44,-20.84,;66.76,-20.07,;62.78,-20.85,;61.44,-20.07,;60.11,-20.85,;60.11,-22.39,;61.46,-23.15,;61.47,-24.68,;62.79,-22.38,;68.1,-17.77,;68.11,-16.23,;69.44,-15.46,;69.44,-18.54,;69.43,-20.08,;68.09,-20.85,;70.76,-20.86,;70.75,-22.39,;72.08,-23.16,;73.42,-22.4,;74.76,-23.17,;73.42,-20.85,;72.09,-20.08,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571892 (CHEMBL4854619) Show SMILES [H][C@@]1(CC[C@@H](CC1)c1nccc(OC)n1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,1.0,(8.83,-18.03,;9.24,-19.51,;7.91,-18.74,;6.58,-19.51,;6.58,-21.05,;7.91,-21.82,;9.24,-21.05,;5.25,-21.83,;3.91,-21.06,;2.58,-21.83,;2.58,-23.37,;3.93,-24.13,;3.94,-25.66,;2.62,-26.44,;5.26,-23.36,;10.57,-18.75,;10.58,-17.21,;11.91,-16.45,;11.91,-19.52,;11.9,-21.06,;10.56,-21.83,;13.24,-21.84,;13.22,-23.38,;14.56,-24.15,;15.9,-23.39,;17.23,-24.16,;15.89,-21.84,;14.56,-21.07,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571894 (CHEMBL4849654) Show SMILES [H][C@]1(CC[C@@H](CC1)c1cccc2OC(F)(F)Oc12)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(46.02,-2.97,;46.43,-4.45,;45.11,-3.68,;43.78,-4.45,;43.78,-5.99,;45.11,-6.76,;46.43,-5.99,;42.44,-6.77,;41.11,-6,;39.77,-6.77,;39.77,-8.31,;41.12,-9.07,;41.44,-10.57,;42.97,-10.72,;44.29,-11.49,;42.97,-12.26,;43.59,-9.32,;42.45,-8.3,;47.77,-3.69,;47.77,-2.15,;49.1,-1.39,;49.1,-4.46,;49.1,-6,;47.76,-6.77,;50.43,-6.78,;50.42,-8.32,;51.75,-9.09,;53.09,-8.33,;54.42,-9.09,;53.09,-6.78,;51.76,-6.01,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50571890 (CHEMBL4873558) Show SMILES [H][C@]1(CC[C@@H](CC1)c1cccnc1OC)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,1.0,wD:4.7,(47.04,-16.81,;47.45,-18.3,;47.45,-19.84,;46.12,-20.61,;44.79,-19.84,;44.79,-18.3,;46.12,-17.53,;43.46,-20.62,;42.12,-19.84,;40.79,-20.62,;40.79,-22.16,;42.14,-22.92,;43.47,-22.15,;44.8,-22.91,;44.8,-24.44,;48.78,-17.54,;48.79,-16,;50.12,-15.23,;50.12,-18.31,;50.11,-19.85,;48.78,-20.62,;51.45,-20.63,;51.43,-22.17,;52.77,-22.94,;54.11,-22.17,;55.44,-22.94,;54.11,-20.62,;52.77,-19.85,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	475	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured aft...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50550026 (CHEMBL4786690) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CYP2C9				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50571890 (CHEMBL4873558) Show SMILES [H][C@]1(CC[C@@H](CC1)c1cccnc1OC)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,1.0,wD:4.7,(47.04,-16.81,;47.45,-18.3,;47.45,-19.84,;46.12,-20.61,;44.79,-19.84,;44.79,-18.3,;46.12,-17.53,;43.46,-20.62,;42.12,-19.84,;40.79,-20.62,;40.79,-22.16,;42.14,-22.92,;43.47,-22.15,;44.8,-22.91,;44.8,-24.44,;48.78,-17.54,;48.79,-16,;50.12,-15.23,;50.12,-18.31,;50.11,-19.85,;48.78,-20.62,;51.45,-20.63,;51.43,-22.17,;52.77,-22.94,;54.11,-22.17,;55.44,-22.94,;54.11,-20.62,;52.77,-19.85,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50344325 (4-(6-chloropyridazin-3-yl)-2-isopropyl-7-methoxypy...) Show SMILES COc1ccc(-c2ccc(Cl)nn2)c2cc(nn12)C(C)C Show InChI InChI=1S/C15H15ClN4O/c1-9(2)12-8-13-10(11-5-6-14(16)18-17-11)4-7-15(21-3)20(13)19-12/h4-9H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50550026 (CHEMBL4786690) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CYP2C8				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50344321 (2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...) Show SMILES COc1cccc2c(c(nn12)C(C)C)C1=NN(Cc2ccccc2)C(=O)CC1 |t:16| Show InChI InChI=1S/C22H24N4O2/c1-15(2)22-21(18-10-7-11-20(28-3)26(18)24-22)17-12-13-19(27)25(23-17)14-16-8-5-4-6-9-16/h4-11,15H,12-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50571879 (CHEMBL4848094) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CYP2C9				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00236 BindingDB Entry DOI: 10.7270/Q2KS6W9W
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50344314 (CHEMBL1779432 | rac-2-Benzyl-4a-methyl-4,4a,5,6-te...) Show SMILES CC12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2 |c:16| Show InChI InChI=1S/C21H20N4O/c1-21-11-10-16-19(17-9-5-6-12-24(17)22-16)20(21)23-25(18(26)13-21)14-15-7-3-2-4-8-15/h2-9,12H,10-11,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
					More data for this Ligand-Target Pair

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