Compile Data Set for Download or QSAR

Found 730 hits of ic50 for UniProtKB: P0DTC1   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-4-4 (CHEMBL5207542) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-66-1 (CHEMBL5178131) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C1CCCCC1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-5-2 (CHEMBL5201613) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-76-4 (CHEMBL5172431) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccno1)c1ccc(cc1)C1CCCCC1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-76-5 (CHEMBL5189062) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-n1cccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-90-3 (CHEMBL5208393) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-12-2 (CHEMBL5179577) Show SMILES O=C(NCCCc1ccccc1)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-5-3 (CHEMBL5204664) Show SMILES O=C(NCC(c1ccccc1)c1ccccc1)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.48	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-6-4 (CHEMBL5175491) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccn1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.81	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-75-2 (CHEMBL5198265) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6](-[#7](-[#6](=O)-c1ccco1)-c1ccc(cc1)[Si;v4]([#6])([#6])[#6])-c1cccnc1)-c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.97	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-92-1 (CHEMBL5196047) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccno1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.47	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-88-2 (CHEMBL5193830) Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-91-5 (CHEMBL5182370) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccco1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.54	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-3-3 (CHEMBL5176045) Show SMILES O=C(NC1CCCCC1)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.68	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-58-2 (CHEMBL5193986) Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CC1)c1cccnc1)C(=O)c1ccco1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-3-2 (CHEMBL5170916) Show SMILES O=C(NC1CCCC1)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-17-2 (acs.jmedchem.1c00409_ST.375 | med.21724, Compound ...) Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cnccn1 Show InChI InChI=1S/C25H30N4O3/c1-24(2,3)17-9-11-18(12-10-17)29(23(31)20-8-7-15-32-20)21(19-16-26-13-14-27-19)22(30)28-25(4,5)6/h7-16,21H,1-6H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.93	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-92-2 (CHEMBL5190815) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1cnco1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.99	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-88-1 (CHEMBL5188059) Show SMILES CC(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.37	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	BDBM622370 (US20230312571, Compound 11) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@H]2C[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C1(CC1)C2 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-97-1 (CHEMBL5171513) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)N1CCCCC1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.46	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-56-1 (CHEMBL5170231) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-4-2 (CHEMBL5179593) Show SMILES O=C(NC1CCCCC1)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.82	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-3-5 Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	UniChem		n/a	n/a	7.27	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-88-4 (CHEMBL5171462) Show SMILES COc1ccc(NC(=O)C(N(C(=O)c2ccco2)c2ccc(cc2)C(C)(C)C)c2cccnc2)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.49	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-88-3 (CHEMBL5188623) Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)Nc1ccc(F)cc1)c1cccnc1)C(=O)c1ccco1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.81	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-74-1 (CHEMBL5192910) Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NCn1nnc2ccccc12)c1cccnc1)C(=O)c1ccco1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.13	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-48-1 (ALP-POS-c59291d4-6 | CVD-0006355 | jm5b01461, Comp...) Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1 Show InChI InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-3-2 (CHEMBL5170916) Show SMILES O=C(NC1CCCC1)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12.1	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-50-2 (ALP-POS-02c6a514-57 | CVD-0013887) Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NCc1ccccc1)c1cccnc1)C(=O)c1ccco1 Show InChI InChI=1S/C29H29N3O3/c1-29(2,3)23-13-15-24(16-14-23)32(28(34)25-12-8-18-35-25)26(22-11-7-17-30-20-22)27(33)31-19-21-9-5-4-6-10-21/h4-18,20,26H,19H2,1-3H3,(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	13.2	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-91-4 (CHEMBL5169554) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1cccs1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	14.6	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	BDBM622371 (US20230312571, Compound 12) Show SMILES CC1C[C@@H]2C[C@H]1[C@H](N2C(=O)[C@@H](NC(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |TLB:25:20:27:24.23.26,25:24:19.20.21:27,THB:23:22:19:25.24.26,23:24:19:21.22.27| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD 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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Replicase polyprotein 1a (2019-nCoV)	BDBM622368 (US20230312571, Compound 10 | US20230312571, Compou...) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@H]2C[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)C2 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD 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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Replicase polyprotein 1a (2019-nCoV)	US20240092759, Compound 37 (CHEMBL5180524) Show SMILES Clc1cc(OCc2ccccc2Cl)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240092759, Compound 37 (CHEMBL5180524) Show SMILES Clc1cc(OCc2ccccc2Cl)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240092759, Compound 44 (Inhibitor 18 of SARS-CoV-2 Mpro) Show SMILES Fc1c(Cl)cc(cc1OCc1ccccc1Cl)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C27H17Cl2FN4O4/c28-21-6-2-1-4-15(21)14-38-23-10-16(9-22(29)24(23)30)19-8-17(20-12-32-27(37)33-25(20)35)13-34(26(19)36)18-5-3-7-31-11-18/h1-13H,14H2,(H2,32,33,35,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	19.7	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-58-3 (CHEMBL3605708) Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cncnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-50-4 (CHEMBL5189716) Show SMILES Cc1cccc(C)c1NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-50-3 (CHEMBL5178977) Show SMILES Cc1ccc(cc1)S(=O)(=O)CNC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun8-59-2 (CHEMBL2311738) Show SMILES CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1c[nH]cn1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Replicase polyprotein 1a (2019-nCoV)	BDBM622363 (US20230312571, Compound 3) Show SMILES FC(F)(F)C(=O)N[C@H](C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C12CC3CC(CC(C3)C1)C2 |TLB:37:32:39:36.35.38,37:36:31.32.33:39,THB:35:34:31:37.36.38,35:36:31:33.34.39| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (2019-nCoV)	US20240083885, Compound Jun9-5-4 (CHEMBL5170981) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(OC(C)(C)C)cc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	21.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Replicase polyprotein 1a (2019-nCoV)	US20240092759, Compound 34 Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (2019-nCoV)	US20240092759, Compound 34 Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Replicase polyprotein 1a (2019-nCoV)	US20240092759, Compound 41 (Inhibitor 17 of SARS-CoV-2 Mpro | Inhibitor 7 of S...) Show SMILES FC(F)(F)CCOc1cc(Cl)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C23H16ClF3N4O4/c24-15-6-13(7-17(9-15)35-5-3-23(25,26)27)18-8-14(19-11-29-22(34)30-20(19)32)12-31(21(18)33)16-2-1-4-28-10-16/h1-2,4,6-12H,3,5H2,(H2,29,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Replicase polyprotein 1a (2019-nCoV)	BDBM622368 (US20230312571, Compound 10 | US20230312571, Compou...) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@H]2C[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)C2 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD 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
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Replicase polyprotein 1a (2019-nCoV)	US20240092759, Compound 49 (Inhibitor 12 of SARS-CoV-2 Mpro) Show SMILES Clc1sccc1COc1cc(Cl)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C25H16Cl2N4O4S/c26-17-6-15(7-19(9-17)35-13-14-3-5-36-22(14)27)20-8-16(21-11-29-25(34)30-23(21)32)12-31(24(20)33)18-2-1-4-28-10-18/h1-12H,13H2,(H2,29,30,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	26.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (2019-nCoV)	US20240092759, Compound 45 Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Replicase polyprotein 1a (2019-nCoV)	BDBM639154 (US20230391736, Example S-217622) Show SMILES Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Replicase polyprotein 1a (2019-nCoV)	BDBM622365 (US20230312571, Compound 15 | US20230312571, Compou...) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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