Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'murphy' and Initial = 'mj'   

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
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Rattus norvegicus)	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613175 (CHEMBL5269745) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C#N)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Canis familiaris)	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610444 (2-(3-Ethyl-pyrazol-1-yl)-1-{(R)-2-(2-hydroxy-ethyl...) Show SMILES CCc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613174 (CHEMBL5284001) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C(F)(F)F)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Canis familiaris)	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Mus musculus)	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610443 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613180 (CHEMBL5287805) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc(C)n1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610438 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES CC(C)c1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613172 (CHEMBL5274429) Show SMILES CC(C)c1ncn(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610435 (2-(3-Cyclopropyl-[1,2,4]triazol-1-yl)-1-{(R)-2-(2-...) Show SMILES OCC[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C1CC1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613173 (CHEMBL5277205) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C(C)(C)C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610448 (2-(3-Ethyl-pyrazol-1-yl)-1-{(S)-2-hydroxymethyl-4-...) Show SMILES CCc1ccn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613165 (CHEMBL5290851) Show SMILES CCc1nc(C)n(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610436 (2-(3-Ethyl-[1,2,4]triazol-1-yl)-1-{(R)-2-(2-hydrox...) Show SMILES CCc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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C-X-C chemokine receptor type 3 (Mus musculus)	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613169 (CHEMBL5276329) Show SMILES CCc1ncn(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613187 (CHEMBL5271152) Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613166 (CHEMBL5290634) Show SMILES CCc1nc(C)nn1CC(=O)N1CCN(C[C@H]1C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610446 (1-{(S)-2-Hydroxymethyl-4-[2-trifluoromethyl-4-(2-t...) Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway 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
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613170 (CHEMBL5268766) Show SMILES CCc1ncnn1CC(=O)N1CCN(C[C@H]1C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613168 (CHEMBL5273485) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ncnc1C)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
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Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066924 (6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...) Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1 Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613167 (CHEMBL5274784) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc(C)n1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610415 (1-{(R)-2-Hydroxymethyl-4-[2-trifluoromethyl-4-(2-t...) Show SMILES CC(C)c1ncn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
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Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against E233V mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613177 (CHEMBL5276903) Show SMILES COCc1ncn(CC(=O)N2CCN(C[C@H]2C)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613186 (CHEMBL5269005) Show SMILES CC(C)c1ncn(CC(=O)N2CCN(C[C@@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
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Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610426 (1-{(R)-2-Hydroxymethyl-4-[2-trifluoromethyl-4-(2-t...) Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064008 (6-Chloro-2-((R)-1-furo[2,3-c]pyridin-5-yl-ethylsul...) Show SMILES C[C@@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610444 (2-(3-Ethyl-pyrazol-1-yl)-1-{(R)-2-(2-hydroxy-ethyl...) Show SMILES CCc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610439 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50613185 (CHEMBL5281798) Show SMILES CCc1ncn(CC(=O)N2CCN(C[C@@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610138 (1-{(S)-2-Hydroxymethyl-4-[2-trifluoromethyl-4-(2-t...) Show SMILES CC(C)c1ncn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610443 (1-{(R)-2-(2-Hydroxy-ethyl)-4-[2-trifluoromethyl-4-...) Show SMILES Cc1ccn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM610068 (2-(3-Cyclopropyl-[1,2,4]triazol-1-yl)-1-{(S)-2-hyd...) Show SMILES OC[C@@H]1CN(CCN1C(=O)Cn1cnc(n1)C1CC1)c1sc(nc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM610448 (2-(3-Ethyl-pyrazol-1-yl)-1-{(S)-2-hydroxymethyl-4-...) Show SMILES CCc1ccn(CC(=O)N2CCN(C[C@H]2CO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against L100I mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against L100I mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)

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