BDBM50180655 A-157378-0::A-157378.0::ABT-378::CHEBI:31781::Kaletra::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-UHFFFAOYSA-N

Data: 14 KI  15 IC50  1 Kd  7 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 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 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1ab (SARS-CoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	0.00130	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.60E+3	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 1ab (2019-nCoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	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
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	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
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	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
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	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
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Human)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orf1a protein (MERS-CoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orf1a protein (MERS-CoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (SARS-CoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.12E+3	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 1ab (2019-nCoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.53E+4	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 1ab (2019-nCoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		<0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		2.40	n/a	n/a	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 1ab (SARS-CoV)	BDBM50180655 (CHEBI:31781 | A-157378-0 | A-157378.0 | ABT-378 | ...) Show SMILES Show InChI	GoogleScholar	UniChem		1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair