null

SMILES: CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

InChI Key: InChIKey=JHLMUSUWOQINSF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 1961   

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
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1961 ((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...) Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	8.3	28
Upjohn					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 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L] (Human immunodeficiency virus type 1)	BDBM1961 ((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...) Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					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 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1961 ((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...) Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1961 ((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...) Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1961 ((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...) Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM1961 ((Alkylamino)piperidine BHAP Analog 17 | 1-[(5-Meth...) Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C24H32N6O3S/c1-4-25-21-7-6-12-26-23(21)30(5-2)19-10-13-29(14-11-19)24(31)22-16-17-15-18(28-34(3,32)33)8-9-20(17)27-22/h6-9,12,15-16,19,25,27-28H,4-5,10-11,13-14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					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 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair