BDBM24060 (2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]ethan-1-one::CHEMBL204459::dihydropyrrole, 19

SMILES: [H][C@]1(C=C(CN1C(=O)[C@@H](N)C1CC1)c1cc(F)ccc1F)c1ccccc1

InChI Key: InChIKey=VCOUEHUEFUDZIS-PMACEKPBSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 24060   

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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM24060 ((2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluoro...) Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](N)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2| Show InChI InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 1775-9 (2006) Article DOI: 10.1016/j.bmcl.2006.01.030 BindingDB Entry DOI: 10.7270/Q27W69HG
					More data for this Ligand-Target Pair
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM24060 ((2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluoro...) Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](N)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2| Show InChI InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of KSP				Bioorg Med Chem Lett 17: 722-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.083 BindingDB Entry DOI: 10.7270/Q2HT2Q4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24060 ((2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluoro...) Show SMILES [H][C@]1(C=C(CN1C(=O)[C@@H](N)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2| Show InChI InChI=1S/C21H20F2N2O/c22-16-8-9-18(23)17(11-16)15-10-19(13-4-2-1-3-5-13)25(12-15)21(26)20(24)14-6-7-14/h1-5,8-11,14,19-20H,6-7,12,24H2/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...				Bioorg Med Chem Lett 16: 1775-9 (2006) Article DOI: 10.1016/j.bmcl.2006.01.030 BindingDB Entry DOI: 10.7270/Q27W69HG
					More data for this Ligand-Target Pair