BindingDB PrimarySearch

Found 1199 hits Enz. Inhib. hit(s) with all data for entry = 50041730
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50078850 (CHEBI:4778 \| Embelin) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597386 (CHEMBL5207081) Show SMILES Cc1ccnc(SC(=O)c2cc3ccccc3[nH]2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597382 (CHEMBL5207392) Show SMILES Cc1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511024 (CHEMBL4566117) Show SMILES CCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1Br Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511017 (CHEMBL4449633) Show SMILES Fc1ccccc1CCNc1cc(=O)[nH]c(=O)[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511045 (CHEMBL4534071) Show SMILES Clc1ccccc1CCNc1cc(=O)[nH]c(=O)[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597379 (CHEMBL5189863) Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3o2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511048 (CHEMBL4462370) Show SMILES CCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511032 (CHEMBL4541166) Show SMILES CCC\C=C\CNc1cc(=O)[nH]c(=O)[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511037 (CHEMBL4574495) Show SMILES Oc1cc(=O)[nH]c(SCCc2ccc(cc2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429360 (acs.jmedchem.1c00409_ST.31 \| cmdc.202100576, 4a \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597399 (CHEMBL5178568) Show SMILES O=C(Sc1nc2ccccc2s1)c1ccc(s1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597375 (CHEMBL5204452) Show SMILES CSc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511022 (CHEMBL4584001) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511040 (CHEMBL4466657) Show SMILES O=c1cc(NCCc2cccs2)[nH]c(=O)[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429365 (med.21724, Compound 38) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM428977 (jm5b01461, Compound 18) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597400 (CHEMBL5197891) Show SMILES O=C(Sc1nc2ccccc2s1)c1ccc2ccccc2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429100 (MPI8 \| jm5b01461, Compound 45) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429370 (med.21724, Compound 41) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511036 (CHEMBL4574715) Show SMILES CCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429357 (JMF158 \| jm5b01461, Compound 174) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511047 (CHEMBL4459188) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM429370 (med.21724, Compound 41) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM429100 (MPI8 \| jm5b01461, Compound 45) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429253 (jm5b01461, Compound 71) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597395 (CHEMBL5192654) Show SMILES O=C(Sc1nc2ccccc2s1)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429253 (jm5b01461, Compound 71) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597368 (CHEMBL5204130) Show SMILES O=C(Sc1nncs1)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597378 (CHEMBL5202104) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597376 (CHEMBL5204064) Show SMILES COc1nnc(SC(=O)c2cc3ccccc3[nH]2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50028336 (6-Pentylamino-1H-pyrimidine-2,4-dione \| CHEMBL1243...) Show SMILES CCCCCNc1cc(=O)[nH]c(=O)[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511006 (CHEBI:32368 \| FEMA NO. 3245 \| NSC-7885 \| Undecanoa...) Show SMILES CCCCCCCCCCC(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511002 (CHEMBL4288936) Show SMILES CCCCCCCCCC(O)CC(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597377 (CHEMBL5207613) Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3[nH]2)o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM429100 (MPI8 \| jm5b01461, Compound 45) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511041 (CHEMBL4442407) Show SMILES CCCCCCSc1nc(O)cc(n1)C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597398 (CHEMBL5181137) Show SMILES O=C(Sc1nc2ccccc2s1)c1cc2ccccc2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429354 (jm5b01461, Compound 171) Show SMILES [O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-] Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597372 (CHEMBL5188939) Show SMILES Cc1nnc(SC(=O)c2ccc3cc[nH]c3c2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511039 (CHEMBL4434708) Show SMILES O=Nc1c(NCCCc2ccccc2)[nH]c(=O)[nH]c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511023 (CHEMBL4456565) Show SMILES CCCCCCNc1[nH]c(=O)[nH]c(=O)c1Br Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597373 (CHEMBL5199191) Show SMILES Cc1nnc(SC(=O)c2cccc3cc[nH]c23)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511012 (CHEMBL4455292) Show SMILES OCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Orf1a protein (MERS-CoV)	BDBM429369 (med.21724, Compound 40) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50597374 (CHEMBL5199531) Show SMILES Cc1nnc(SC(=O)c2cc3ccccc3n2C)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00636 BindingDB Entry DOI: 10.7270/Q29S1W2C
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429353 (jm5b01461, Compound 170) Show SMILES [O-][N+](=O)O[Hg]c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429244 (jm5b01461, Compound 61) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50511008 (CHEBI:59270 \| CHEMBL2004471) Show SMILES CCCCCCCCCCCCC(O)C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	318	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...				J Med Chem 63: 2391-2410 (2020) Article DOI: 10.1021/acs.jmedchem.9b01339 BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429252 (acs.jmedchem.1c00409_ST.146 \| jm5b01461, Compound ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair

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