Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 2104   

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
Gag-Pol polyprotein [600-1027,K702N]/[600-1155,K702N] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,P835L]/[600-1155,P835L] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,V705A]/[600-1155,V705A] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair