BDBM50296579 3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyclopentyl]amino}-methyl)-4-methyl-1H-pyrazol-1-yl]propanenitrile::CHEMBL560667::MK-1925

SMILES: Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1

InChI Key: InChIKey=LJTOZIFFXNLWEQ-PBHICJAKSA-N

Data: 6 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 6 hits for monomerid = 50296579   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM50296579 (3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...) Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor				Bioorg Med Chem Lett 19: 4729-32 (2009) Article DOI: 10.1016/j.bmcl.2009.06.051 BindingDB Entry DOI: 10.7270/Q2H9958F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50296579 (3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...) Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human cloned delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4729-32 (2009) Article DOI: 10.1016/j.bmcl.2009.06.051 BindingDB Entry DOI: 10.7270/Q2H9958F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50296579 (3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...) Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4729-32 (2009) Article DOI: 10.1016/j.bmcl.2009.06.051 BindingDB Entry DOI: 10.7270/Q2H9958F
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50296579 (3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...) Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor				Bioorg Med Chem Lett 19: 4729-32 (2009) Article DOI: 10.1016/j.bmcl.2009.06.051 BindingDB Entry DOI: 10.7270/Q2H9958F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50296579 (3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...) Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphin from human cloned mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4729-32 (2009) Article DOI: 10.1016/j.bmcl.2009.06.051 BindingDB Entry DOI: 10.7270/Q2H9958F
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296579 (3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...) Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1	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	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEK293 cells overexpressing Ikr channel protein				Bioorg Med Chem Lett 19: 4729-32 (2009) Article DOI: 10.1016/j.bmcl.2009.06.051 BindingDB Entry DOI: 10.7270/Q2H9958F
					More data for this Ligand-Target Pair