BDBM50263624 CHEMBL4081213

SMILES: FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2cccnc2)C(=O)NC2(CC2)C#N)cc1Cl

InChI Key: InChIKey=LWKXXMIGWXDPTM-INIZCTEOSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50263624   

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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50263624 (CHEMBL4081213) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2cccnc2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C22H17ClF3N7O3/c23-15-8-13(3-4-18(15)36-22(24,25)26)9-16(20(35)31-21(12-27)5-6-21)30-19(34)17-11-29-33(32-17)14-2-1-7-28-10-14/h1-4,7-8,10-11,16H,5-6,9H2,(H,30,34)(H,31,35)/t16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263624 (CHEMBL4081213) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2cccnc2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C22H17ClF3N7O3/c23-15-8-13(3-4-18(15)36-22(24,25)26)9-16(20(35)31-21(12-27)5-6-21)30-19(34)17-11-29-33(32-17)14-2-1-7-28-10-14/h1-4,7-8,10-11,16H,5-6,9H2,(H,30,34)(H,31,35)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	353	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50263624 (CHEMBL4081213) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2cccnc2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C22H17ClF3N7O3/c23-15-8-13(3-4-18(15)36-22(24,25)26)9-16(20(35)31-21(12-27)5-6-21)30-19(34)17-11-29-33(32-17)14-2-1-7-28-10-14/h1-4,7-8,10-11,16H,5-6,9H2,(H,30,34)(H,31,35)/t16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using AMMC as substrate by fluorescence assay				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263624 (CHEMBL4081213) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2cccnc2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C22H17ClF3N7O3/c23-15-8-13(3-4-18(15)36-22(24,25)26)9-16(20(35)31-21(12-27)5-6-21)30-19(34)17-11-29-33(32-17)14-2-1-7-28-10-14/h1-4,7-8,10-11,16H,5-6,9H2,(H,30,34)(H,31,35)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using DBF as substrate by fluorescence assay				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50263624 (CHEMBL4081213) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2cccnc2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C22H17ClF3N7O3/c23-15-8-13(3-4-18(15)36-22(24,25)26)9-16(20(35)31-21(12-27)5-6-21)30-19(34)17-11-29-33(32-17)14-2-1-7-28-10-14/h1-4,7-8,10-11,16H,5-6,9H2,(H,30,34)(H,31,35)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using MFC as substrate by fluorescence assay				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair