BDBM50033863 CHEMBL3358176

SMILES: C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1

InChI Key: InChIKey=WOULWISOHTZRJX-MRXNPFEDSA-N

Data: 5 IC50

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 5 hits for monomerid = 50033863   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033863 (CHEMBL3358176) Show SMILES C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1 |r| Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)/t16-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033863 (CHEMBL3358176) Show SMILES C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1 |r| Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)/t16-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase K103N mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033863 (CHEMBL3358176) Show SMILES C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1 |r| Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)/t16-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase V106A mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033863 (CHEMBL3358176) Show SMILES C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1 |r| Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)/t16-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50033863 (CHEMBL3358176) Show SMILES C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1)c1ccncc1 |r| Show InChI InChI=1S/C24H22ClN3O3S/c1-14-10-15(2)12-19(11-14)32(30,31)23-20-13-18(25)4-5-21(20)28-22(23)24(29)27-16(3)17-6-8-26-9-7-17/h4-13,16,28H,1-3H3,(H,27,29)/t16-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase Y181I/Y181C mutant assessed as reduction in enzyme activity				J Med Chem 57: 9945-57 (2014) Article DOI: 10.1021/jm5011622 BindingDB Entry DOI: 10.7270/Q2FB54K8
					More data for this Ligand-Target Pair