Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50015252   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584634 (CHEMBL5078684) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccoc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50103642 (4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...) Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584633 (CHEMBL5076567) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccco1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584630 (CHEMBL5086160) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccncc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584635 (CHEMBL5094298) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cccs1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584636 (CHEMBL5077589) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccsc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM222178 (Rilpivirine) Show SMILES Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584641 (CHEMBL5092151) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccc(nc1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584643 (CHEMBL5088915) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccs1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584645 (CHEMBL5081783) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584653 (CHEMBL5082832) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc(F)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584652 (CHEMBL5080518) Show SMILES Cc1cc(ccn1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584637 (CHEMBL5087871) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccnc(F)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584658 (CHEMBL5088410) Show SMILES COc1ncc(cn1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584642 (CHEMBL5077783) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccco1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584659 (CHEMBL5092491) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cnc(nc1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584647 (CHEMBL5075761) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc2ccccc12 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584651 (CHEMBL5085325) Show SMILES Cc1ccc(s1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584656 (CHEMBL5082632) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cc(F)nc(F)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584657 (CHEMBL5074781) Show SMILES Cc1ncc(cn1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584649 (CHEMBL5079307) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccc2cc[nH]c2c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584638 (CHEMBL5079060) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cc(F)nc(F)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584650 (CHEMBL5084031) Show SMILES Cc1csc(c1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584648 (CHEMBL5075154) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cccc2cc[nH]c12 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584646 (CHEMBL5093657) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cc2ccccc2s1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584660 (CHEMBL5093150) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cnc(nc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584655 (CHEMBL5092468) Show SMILES Cc1cc(cc(C)n1)-c1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584654 (CHEMBL5091293) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccnc(c1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584631 (CHEMBL5092364) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cccnc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50207551 (CHEMBL3977345) Show SMILES CC[C@]1(NC(=O)N(Cc2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584640 (CHEMBL5078581) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cncc(c1)C#N Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	271	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584632 (CHEMBL5088472) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cncnc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584644 (CHEMBL5091984) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1cncnc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	343	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50584639 (CHEMBL5079010) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1cncc(c1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	857	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50584630 (CHEMBL5086160) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50584630 (CHEMBL5086160) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50584630 (CHEMBL5086160) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50584645 (CHEMBL5081783) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50584630 (CHEMBL5086160) Show SMILES Cc1cnc(Nc2ccc(cc2)C#N)nc1Nc1c(F)cc(cc1F)-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50584645 (CHEMBL5081783) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50584645 (CHEMBL5081783) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50584645 (CHEMBL5081783) Show SMILES Cc1cc(cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 to 45 mins in presence of NADPH				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01676 BindingDB Entry DOI: 10.7270/Q2GH9NT5
					More data for this Ligand-Target Pair