Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'scaggs' and Initial = 'wr'   

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
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579459 (CHEMBL4863322) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(=O)(=O)c2ncc[nH]2)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579460 (CHEMBL4857707) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)Nc1ccc(c(C)c1)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579456 (CHEMBL4863017) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579458 (CHEMBL4862554) Show SMILES CNS(=O)(=O)Nc1ccc(c(C)c1)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579455 (CHEMBL4873816) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579457 (CHEMBL4846481) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579461 (CHEMBL4854153) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NCc2ncc[nH]2)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579453 (CHEMBL4875904) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579455 (CHEMBL4873816) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579456 (CHEMBL4863017) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579454 (CHEMBL4868118) Show SMILES COc1cc(ccc1NS(C)(=O)=O)-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579453 (CHEMBL4875904) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579452 (CHEMBL4846039) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(N)cc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579447 (CHEMBL4874818) Show SMILES COc1cnccc1-c1cc2c3nc(C)nn3c(=O)[nH]c2cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579445 (CHEMBL4859588) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccccc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579448 (CHEMBL4851756) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1cccc2[nH]ccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579446 (CHEMBL4860976) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579449 (CHEMBL4872496) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccnc2[nH]ccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579450 (CHEMBL4876721) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1c(C)ccc2[nH]ncc12 |(14.09,-43.85,;13.41,-45.23,;11.92,-45.48,;11.7,-46.97,;10.37,-47.75,;9.03,-46.99,;7.7,-47.76,;7.7,-49.3,;6.36,-50.07,;9.03,-50.08,;10.36,-49.31,;11.7,-50.08,;13.05,-49.31,;14.39,-50.09,;13.05,-47.64,;14.1,-46.56,;6.37,-46.99,;6.37,-45.45,;7.71,-44.68,;5.04,-44.68,;3.71,-45.45,;3.71,-47,;2.58,-48.03,;3.21,-49.42,;4.73,-49.25,;5.04,-47.75,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579451 (CHEMBL4864303) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(N)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579435 (CHEMBL4863477) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579455 (CHEMBL4873816) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccc(NS(C)(=O)=O)cc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579435 (CHEMBL4863477) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-h...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579444 (CHEMBL4873902) Show SMILES CS(=O)(=O)Nc1ccc(c(Cl)c1)-c1cc2c3nc(CNC(=S)Nc4ccc(c(c4)C(O)=O)-c4c5ccc(O)cc5oc5cc(=O)ccc45)nn3c(=O)[nH]c2cc1Cl |(66.38,-53.97,;67.71,-54.74,;68.11,-53.24,;69.21,-54.33,;67.72,-56.28,;69.05,-57.05,;69.05,-58.6,;70.39,-59.36,;71.71,-58.59,;71.72,-57.05,;73.05,-56.28,;70.39,-56.28,;73.04,-59.36,;74.37,-58.59,;75.71,-59.36,;77.05,-58.58,;77.27,-57.09,;78.75,-56.84,;79.44,-55.46,;78.58,-54.17,;79.27,-52.79,;80.81,-52.69,;78.42,-51.51,;79.1,-50.13,;78.46,-48.74,;79.35,-47.48,;80.89,-47.62,;81.53,-49.03,;80.64,-50.28,;83.07,-49.18,;83.28,-50.7,;84.5,-48.61,;81.78,-46.37,;81.13,-44.97,;79.61,-44.83,;78.97,-43.43,;79.86,-42.17,;79.22,-40.77,;81.4,-42.32,;82.03,-43.72,;83.57,-43.87,;84.2,-45.27,;85.72,-45.42,;86.35,-46.81,;87.89,-46.97,;85.46,-48.06,;83.94,-47.9,;83.31,-46.51,;79.45,-58.17,;78.39,-59.24,;78.4,-60.92,;79.73,-61.69,;77.05,-61.69,;75.71,-60.91,;74.38,-61.68,;73.04,-60.91,;71.71,-61.68,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579443 (CHEMBL4848599) Show SMILES Cc1cnccc1-c1cc2c3nc(CNC(=O)c4ccc(c(c4)C(O)=O)-c4c5ccc(O)cc5oc5cc(=O)ccc45)nn3c(=O)[nH]c2cc1Cl |(25.53,-48.68,;24.2,-49.46,;22.87,-48.69,;21.53,-49.46,;21.54,-51,;22.87,-51.77,;24.2,-51,;25.53,-51.77,;26.86,-51,;28.19,-51.76,;29.53,-50.98,;29.75,-49.49,;31.23,-49.24,;31.92,-47.86,;31.07,-46.58,;31.75,-45.19,;33.29,-45.1,;30.9,-43.91,;29.37,-44.01,;28.52,-42.73,;29.2,-41.34,;30.74,-41.25,;31.59,-42.53,;31.43,-39.87,;32.93,-40.21,;31.42,-38.33,;28.35,-40.07,;26.81,-40.17,;26.13,-41.54,;24.6,-41.64,;23.74,-40.35,;22.2,-40.45,;24.43,-38.98,;25.97,-38.89,;26.65,-37.5,;28.19,-37.41,;28.87,-36.04,;30.4,-35.96,;31.09,-34.58,;31.24,-37.23,;30.55,-38.6,;29.03,-38.69,;31.93,-50.57,;30.88,-51.65,;30.88,-53.32,;32.22,-54.1,;29.53,-54.09,;28.19,-53.32,;26.86,-54.09,;25.52,-53.31,;24.19,-54.08,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579442 (CHEMBL4867105) Show SMILES O=C1CC(c2ccccc2)c2cc3OCOc3cc2N1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579441 (CHEMBL1576751) Show SMILES Cc1ccc(Nc2ncnc3n(C)ncc23)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.50E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579440 (CHEMBL2132792) Show SMILES Cc1cccc(Nc2cc(=O)n(C)c(=O)n2C)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40E+6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579439 (CHEMBL4864031) Show SMILES Cc1cc(C)c(C#N)c(=S)[nH]1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.80E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50570907 (CHEMBL69086) Show SMILES Sc1nc2cc(Cl)ccc2[nH]1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.70E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579438 (CHEMBL4854485) Show SMILES Nc1ccc(cc1)-c1nn2cnnc2s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.40E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50499531 (CHEMBL1462057) Show SMILES CN(C)CCn1c(=S)[nH]c2ccccc2c1=O Show InChI InChI=1S/C12H15N3OS/c1-14(2)7-8-15-11(16)9-5-3-4-6-10(9)13-12(15)17/h3-6H,7-8H2,1-2H3,(H,13,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.30E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM51474 ((2-methyl-4-oxazolo[4,5-b]pyridin-2-yl-phenyl)amin...) Show SMILES Cc1cc(ccc1N)-c1nc2ncccc2o1 Show InChI InChI=1S/C13H11N3O/c1-8-7-9(4-5-10(8)14)13-16-12-11(17-13)3-2-6-15-12/h2-7H,14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.60E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579437 (CHEMBL4876887) Show SMILES Cc1nc2CCCc2c(=S)[nH]1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.50E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579436 (CHEMBL4865760) Show SMILES Nc1c(cnc2c(Cl)cccc12)C(O)=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579435 (CHEMBL4863477) Show SMILES Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1ccncc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579434 (CHEMBL4854696) Show SMILES CC(C)c1nc2c3cc(Br)c(Cl)cc3[nH]c(=O)n2n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579433 (CHEMBL4870200) Show SMILES CC(C)c1nc2c3cc(Cl)c(Cl)cc3[nH]c(=O)n2n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579432 (CHEMBL4871549) Show SMILES CC(C)c1nc2c3ccc(Cl)cc3[nH]c(=O)n2n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579431 (CHEMBL4864057) Show SMILES Cc1nc2c3ccc(Cl)cc3[nH]c(=O)n2n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579430 (CHEMBL4852144) Show SMILES Cc1nc2c3cc(ccc3[nH]c(=O)n2n1)-c1ccncc1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579429 (CHEMBL4870128) Show SMILES Cc1nc2c3cc(ccc3[nH]c(=O)n2n1)-c1ccnn1C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579428 (CHEMBL4860123) Show SMILES Cc1nc2c3cc(Br)ccc3[nH]c(=O)n2n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579427 (CHEMBL4866110) Show SMILES COc1ccc2[nH]c(=O)n3nc(nc3c2c1)C(C)C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579426 (CGS-13767 | CHEMBL330116) Show SMILES Oc1nc2ccccc2c2nc(nn12)-c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579424 (CHEMBL1569082) Show SMILES Cc1nc2c3ccccc3nc(O)n2n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.10E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair
Hepatitis A virus cellular receptor 2 (Homo sapiens)	BDBM50579425 (CHEMBL4876694) Show SMILES CC(C)c1nc2c3ccccc3[nH]c(=O)n2n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01336 BindingDB Entry DOI: 10.7270/Q20V8HMJ
					More data for this Ligand-Target Pair