Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50034679   

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
Aromatase (Homo sapiens (Human))	BDBM13061 (4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...) Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366125 (CHEMBL1957214) Show SMILES c1sc(nc1-c1cccnc1)-c1ccncc1 Show InChI InChI=1S/C13H9N3S/c1-2-11(8-15-5-1)12-9-17-13(16-12)10-3-6-14-7-4-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10015 (2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366128 (CHEMBL1957217) Show SMILES COc1cc(ccn1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-7-10(4-6-16-13)14-17-12(9-19-14)11-3-2-5-15-8-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366129 (CHEMBL1957218) Show SMILES Cc1cnccc1-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H11N3S/c1-10-7-16-6-4-12(10)14-17-13(9-18-14)11-3-2-5-15-8-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366127 (CHEMBL1957216) Show SMILES Clc1cc(ccn1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C13H8ClN3S/c14-12-6-9(3-5-16-12)13-17-11(8-18-13)10-2-1-4-15-7-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366134 (CHEMBL1957223) Show SMILES COc1ccc(cn1)-c1csc(n1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-5-4-10(8-16-13)12-9-19-14(17-12)11-3-2-6-15-7-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366120 (CHEMBL1601919) Show SMILES c1sc(nc1-c1cccnc1)-c1ccccc1 Show InChI InChI=1S/C14H10N2S/c1-2-5-11(6-3-1)14-16-13(10-17-14)12-7-4-8-15-9-12/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366132 (CHEMBL1957221) Show SMILES COc1ccc(cn1)-c1csc(n1)-c1ccncc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-3-2-11(8-16-13)12-9-19-14(17-12)10-4-6-15-7-5-10/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366133 (CHEMBL1957222) Show SMILES CCOc1ccc(cn1)-c1csc(n1)-c1ccncc1 Show InChI InChI=1S/C15H13N3OS/c1-2-19-14-4-3-12(9-17-14)13-10-20-15(18-13)11-5-7-16-8-6-11/h3-10H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366122 (CHEMBL1957211) Show SMILES Clc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H9ClN2S/c15-12-5-3-10(4-6-12)14-17-13(9-18-14)11-2-1-7-16-8-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366130 (CHEMBL1957219) Show SMILES Brc1ccc(cn1)-c1csc(n1)-c1ccncc1 Show InChI InChI=1S/C13H8BrN3S/c14-12-2-1-10(7-16-12)11-8-18-13(17-11)9-3-5-15-6-4-9/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	285	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366118 (CHEMBL1957208) Show SMILES Brc1cccc(c1)-c1nc(ns1)-c1cccnc1 Show InChI InChI=1S/C13H8BrN3S/c14-11-5-1-3-9(7-11)13-16-12(17-18-13)10-4-2-6-15-8-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366131 (CHEMBL1957220) Show SMILES Brc1ccc(cn1)-c1csc(n1)-c1cccnc1 Show InChI InChI=1S/C13H8BrN3S/c14-12-4-3-9(7-16-12)11-8-18-13(17-11)10-2-1-5-15-6-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366123 (CHEMBL1957212) Show SMILES Brc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H9BrN2S/c15-12-5-3-10(4-6-12)14-17-13(9-18-14)11-2-1-7-16-8-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366126 (CHEMBL1957215) Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H10N2OS/c17-12-5-3-10(4-6-12)14-16-13(9-18-14)11-2-1-7-15-8-11/h1-9,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366119 (CHEMBL1957209) Show SMILES COc1cccc(c1)-c1nc(ns1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-12-6-2-4-10(8-12)14-16-13(17-19-14)11-5-3-7-15-9-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366121 (CHEMBL1957210) Show SMILES Fc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H9FN2S/c15-12-5-3-10(4-6-12)14-17-13(9-18-14)11-2-1-7-16-8-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366124 (CHEMBL1957213) Show SMILES COc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C15H12N2OS/c1-18-13-6-4-11(5-7-13)15-17-14(10-19-15)12-3-2-8-16-9-12/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michael...				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM13061 (4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...) Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366125 (CHEMBL1957214) Show SMILES c1sc(nc1-c1cccnc1)-c1ccncc1 Show InChI InChI=1S/C13H9N3S/c1-2-11(8-15-5-1)12-9-17-13(16-12)10-3-6-14-7-4-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10015 (2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1...) Show SMILES CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N Show InChI InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366128 (CHEMBL1957217) Show SMILES COc1cc(ccn1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-7-10(4-6-16-13)14-17-12(9-19-14)11-3-2-5-15-8-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366129 (CHEMBL1957218) Show SMILES Cc1cnccc1-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H11N3S/c1-10-7-16-6-4-12(10)14-17-13(9-18-14)11-3-2-5-15-8-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366127 (CHEMBL1957216) Show SMILES Clc1cc(ccn1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C13H8ClN3S/c14-12-6-9(3-5-16-12)13-17-11(8-18-13)10-2-1-4-15-7-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366134 (CHEMBL1957223) Show SMILES COc1ccc(cn1)-c1csc(n1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-5-4-10(8-16-13)12-9-19-14(17-12)11-3-2-6-15-7-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366120 (CHEMBL1601919) Show SMILES c1sc(nc1-c1cccnc1)-c1ccccc1 Show InChI InChI=1S/C14H10N2S/c1-2-5-11(6-3-1)14-16-13(10-17-14)12-7-4-8-15-9-12/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366132 (CHEMBL1957221) Show SMILES COc1ccc(cn1)-c1csc(n1)-c1ccncc1 Show InChI InChI=1S/C14H11N3OS/c1-18-13-3-2-11(8-16-13)12-9-19-14(17-12)10-4-6-15-7-5-10/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366133 (CHEMBL1957222) Show SMILES CCOc1ccc(cn1)-c1csc(n1)-c1ccncc1 Show InChI InChI=1S/C15H13N3OS/c1-2-19-14-4-3-12(9-17-14)13-10-20-15(18-13)11-5-7-16-8-6-11/h3-10H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366122 (CHEMBL1957211) Show SMILES Clc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H9ClN2S/c15-12-5-3-10(4-6-12)14-17-13(9-18-14)11-2-1-7-16-8-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366130 (CHEMBL1957219) Show SMILES Brc1ccc(cn1)-c1csc(n1)-c1ccncc1 Show InChI InChI=1S/C13H8BrN3S/c14-12-2-1-10(7-16-12)11-8-18-13(17-11)9-3-5-15-6-4-9/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366118 (CHEMBL1957208) Show SMILES Brc1cccc(c1)-c1nc(ns1)-c1cccnc1 Show InChI InChI=1S/C13H8BrN3S/c14-11-5-1-3-9(7-11)13-16-12(17-18-13)10-4-2-6-15-8-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366131 (CHEMBL1957220) Show SMILES Brc1ccc(cn1)-c1csc(n1)-c1cccnc1 Show InChI InChI=1S/C13H8BrN3S/c14-12-4-3-9(7-16-12)11-8-18-13(17-11)10-2-1-5-15-6-10/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366123 (CHEMBL1957212) Show SMILES Brc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H9BrN2S/c15-12-5-3-10(4-6-12)14-17-13(9-18-14)11-2-1-7-16-8-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366126 (CHEMBL1957215) Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H10N2OS/c17-12-5-3-10(4-6-12)14-16-13(9-18-14)11-2-1-7-15-8-11/h1-9,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366119 (CHEMBL1957209) Show SMILES COc1cccc(c1)-c1nc(ns1)-c1cccnc1 Show InChI InChI=1S/C14H11N3OS/c1-18-12-6-2-4-10(8-12)14-16-13(17-19-14)11-5-3-7-15-9-11/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366121 (CHEMBL1957210) Show SMILES Fc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C14H9FN2S/c15-12-5-3-10(4-6-12)14-17-13(9-18-14)11-2-1-7-16-8-11/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50366124 (CHEMBL1957213) Show SMILES COc1ccc(cc1)-c1nc(cs1)-c1cccnc1 Show InChI InChI=1S/C15H12N2OS/c1-18-13-6-4-11(5-7-13)15-17-14(10-19-15)12-3-2-8-16-9-12/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells after 18 hrs				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay				Bioorg Med Chem 20: 2427-34 (2012) Article DOI: 10.1016/j.bmc.2012.01.047 BindingDB Entry DOI: 10.7270/Q2DJ5G3W
					More data for this Ligand-Target Pair