Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 11525   

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
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622903 (US11780827, Example 1) Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc(c1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622948 (US11780827, Example 46) Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2cc(ncn2)C(F)(F)F)cc1F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622905 (US11780827, Example 3) Show SMILES Fc1cc(F)cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622906 (US11780827, Example 4) Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc(F)c1F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622907 (US11780827, Example 5) Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc1F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622908 (US11780827, Example 6) Show SMILES FC(F)c1cc(F)cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622909 (US11780827, Example 7) Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622910 (US11780827, Example 8) Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc(Cl)c1F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622911 (US11780827, Example 9) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)(F)F)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622912 (US11780827, Example 10) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(Cl)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622913 (US11780827, Example 11) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)F)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622914 (US11780827, Example 12) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(F)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622915 (US11780827, Example 13) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(F)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622916 (US11780827, Example 14) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(Cl)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622917 (US11780827, Example 15) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(F)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622918 (US11780827, Example 16) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(Cl)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622919 (US11780827, Example 17) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)(F)F)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622920 (US11780827, Example 18) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(Cl)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622921 (US11780827, Example 19) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(Cl)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622922 (US11780827, Example 20) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(F)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622923 (US11780827, Example 21) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(F)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622924 (US11780827, Example 22) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)F)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622925 (US11780827, Example 23) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(Cl)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622926 (US11780827, Example 24) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(F)c2)cnn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622927 (US11780827, Example 25) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(Cl)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622928 (US11780827, Example 26) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(F)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622929 (US11780827, Example 27) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622930 (US11780827, Example 28) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(F)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622931 (US11780827, Example 29) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(F)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622932 (US11780827, Example 30) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(Cl)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622933 (US11780827, Example 31) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622934 (US11780827, Example 32) Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(Cl)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622935 (US11780827, Example 33) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(F)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622936 (US11780827, Example 34) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622937 (US11780827, Example 35) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(Cl)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622938 (US11780827, Example 36) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(F)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622939 (US11780827, Example 37) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(F)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622940 (US11780827, Example 38) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(Cl)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622941 (US11780827, Example 39) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)F)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622942 (US11780827, Example 40) Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(Cl)c2)ncn1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622943 (US11780827, Example 41) Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccncn2)cc(Cl)c1F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622944 (US11780827, Example 42) Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccncn2)cc(F)c1F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622945 (US11780827, Example 43) Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2ccncn2)cc1F Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622946 (US11780827, Example 44) Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2ccncn2)cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622947 (US11780827, Example 45) Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2cc(ncn2)C(F)(F)F)cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
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G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM622904 (US11780827, Example 2) Show SMILES Fc1cc(Cl)cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
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