BindingDB PrimarySearch

BDBM50180655 A-157378-0::A-157378.0::ABT-378::CHEBI:31781::Kaletra::LOPINAVIR::Lopinavir::med.21724, Compound 185

SMILES: CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1

InChI Key: InChIKey=KJHKTHWMRKYKJE-SUGCFTRWSA-N

Data: 13 KI 12 IC50 1 Kd 6 EC50

PDB links: 13 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50180655
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to wild type HIV1 protease				J Med Chem 55: 1424-44 (2012) Article DOI: 10.1021/jm2010332 BindingDB Entry DOI: 10.7270/Q2D79F84
University of Cambridge Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease by FRET				J Med Chem 53: 7699-708 (2010) Article DOI: 10.1021/jm1008743 BindingDB Entry DOI: 10.7270/Q2BZ68WM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	<0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage ...				J Med Chem 63: 8296-8313 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay				J Med Chem 51: 4839-43 (2008) Article DOI: 10.1021/jm8002334 BindingDB Entry DOI: 10.7270/Q24B344W
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay				J Med Chem 51: 4839-43 (2008) Article DOI: 10.1021/jm8002334 BindingDB Entry DOI: 10.7270/Q24B344W
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay				J Med Chem 51: 4839-43 (2008) Article DOI: 10.1021/jm8002334 BindingDB Entry DOI: 10.7270/Q24B344W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protea...				J Med Chem 63: 8296-8313 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay				J Med Chem 51: 4839-43 (2008) Article DOI: 10.1021/jm8002334 BindingDB Entry DOI: 10.7270/Q24B344W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing p...				J Med Chem 63: 8296-8313 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Esch...				J Med Chem 51: 4839-43 (2008) Article DOI: 10.1021/jm8002334 BindingDB Entry DOI: 10.7270/Q24B344W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay				J Med Chem 53: 607-15 (2010) Article DOI: 10.1021/jm901165g BindingDB Entry DOI: 10.7270/Q29Z97R7
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay				J Med Chem 51: 4839-43 (2008) Article DOI: 10.1021/jm8002334 BindingDB Entry DOI: 10.7270/Q24B344W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem 16: 1299-308 (2008) Article DOI: 10.1016/j.bmc.2007.10.062 BindingDB Entry DOI: 10.7270/Q2RJ4N8X
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	Lopinavir (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars		1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
3C-like proteinase (MERS-CoV)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.44E+4	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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.71E+4	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
3C-like proteinase (MERS-CoV)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	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)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Korea					Assay Description Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 � 104 cells per well in DMEM, supplemented with 2% FBS and 1� ...				Antimicrob Agents Chemother 64: (2020) Article DOI: 10.1128/AAC.00819-20 BindingDB Entry DOI: 10.7270/Q22N54QR
Institut Pasteur Korea					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Korea					Assay Description Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 � 104 cells per well in DMEM, supplemented with 2% FBS and 1� ...				Antimicrob Agents Chemother 64: (2020) Article DOI: 10.1128/AAC.00819-20 BindingDB Entry DOI: 10.7270/Q22N54QR
Institut Pasteur Korea					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometri...				Citation and Details Article DOI: 10.1007/s00044-012-0350-1 BindingDB Entry DOI: 10.7270/Q2FR00JD
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
University of KwaZulu-Natal Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
University of KwaZulu-Natal Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 NL4-3 wild type protease expressed in Escherichia coli preincubated for 20 mins by FRET analysis				Bioorg Med Chem 21: 7430-4 (2013) Article DOI: 10.1016/j.bmc.2013.09.045 BindingDB Entry DOI: 10.7270/Q23B633V
Wayne State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells assessed as reduction in virus-induced cytopathic...				J Med Chem 61: 5138-5153 (2018) Article DOI: 10.1021/acs.jmedchem.7b01709 BindingDB Entry DOI: 10.7270/Q2T15651
Kobe Gakuin University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
University of KwaZulu-Natal Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (BSEP) (Homo sapiens (Human))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor (nACh) using [3H](-)-nicotine as radioligand in rat brain				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	0.00130	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Binding affinity to HIV1 protease				J Med Chem 59: 4171-88 (2016) BindingDB Entry DOI: 10.7270/Q26T0PKN
Harvard University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM50180655 (A-157378-0 \| A-157378.0 \| ABT-378 \| CHEBI:31781 \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60E+3	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