BDBM50508778 CHEMBL4450262

SMILES: CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12

InChI Key: InChIKey=SDQJBFCZZXWMLO-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50508778   

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)	BDBM50508778 (CHEMBL4450262) Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase G190A mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508778 (CHEMBL4450262) Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	798	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508778 (CHEMBL4450262) Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y181C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508778 (CHEMBL4450262) Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	894	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in ...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508778 (CHEMBL4450262) Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188H mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508778 (CHEMBL4450262) Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection ...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508778 (CHEMBL4450262) Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508778 (CHEMBL4450262) Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase V106M mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549
					More data for this Ligand-Target Pair