BDBM50081363 CHEMBL3422012::US10065961, Compound 3::US10683295, Compound 3::US10941151, Compound 3::US9475814, 3

SMILES: Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1

InChI Key: InChIKey=SSHIUOSPXKCYNW-UHFFFAOYSA-N

Data: 16 KI  12 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 28 hits for monomerid = 50081363   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vit...				US Patent US10941151 (2021)
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Ogeda SA. US Patent					Assay Description The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vit...				US Patent US10941151 (2021)
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Euroscreen S.A. US Patent					Assay Description The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro ra...				US Patent US9475814 (2016) BindingDB Entry DOI: 10.7270/Q2B8571Q
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vit...				US Patent US10683295 (2020)
					More data for this Ligand-Target Pair
Neurokinin 3 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vit...				US Patent US10683295 (2020)
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA. US Patent					Assay Description The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	7.4	25
Euroscreen S.A. US Patent					Assay Description The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...				US Patent US9475814 (2016) BindingDB Entry DOI: 10.7270/Q2B8571Q
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	7.4	25
Euroscreen S.A. US Patent					Assay Description The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...				US Patent US9475814 (2016) BindingDB Entry DOI: 10.7270/Q2B8571Q
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Mem...				US Patent US10941151 (2021)
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Mem...				US Patent US10941151 (2021)
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK2: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 μg/ml saponin, at pH 7.4. Binding assays consisted of 25 &...				US Patent US10683295 (2020)
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description NK1: The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 ...				US Patent US10683295 (2020)
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	7.4	25
Ogeda SA. US Patent					Assay Description The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Transcriptional regulator ERG (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA. US Patent					Assay Description The human Ether-a-go-go Related Gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (IKr) which is involved in car...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA. US Patent					Assay Description The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by ad...				US Patent US10065961 (2018) BindingDB Entry DOI: 10.7270/Q2MW2K4R
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines...				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ogeda SA US Patent					Assay Description hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generat...				US Patent US10683295 (2020)
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen S.A. US Patent					Assay Description The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in ...				US Patent US9475814 (2016) BindingDB Entry DOI: 10.7270/Q2B8571Q
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells after 5 mins by patch-clamp assay				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50081363 (CHEMBL3422012 | US10065961, Compound 3 | US1068329...) Show SMILES Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H17N5OS2/c1-13-21-16(12-28-13)19-23-22-18-11-24(8-9-25(18)19)20(26)15-6-4-14(5-7-15)17-3-2-10-27-17/h2-7,10,12H,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen S.A. US Patent					Assay Description Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...				US Patent US9475814 (2016) BindingDB Entry DOI: 10.7270/Q2B8571Q
					More data for this Ligand-Target Pair