BDBM50246658 3-(2-chlorophenyl)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)pentanamido)propanoic acid::CHEMBL301567

SMILES: CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccccc3Cl)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

InChI Key: InChIKey=ZTPPUVKHQVZMRZ-FAESTUAFSA-N

Data: 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 3 hits for monomerid = 50246658   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50246658 (3-(2-chlorophenyl)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR...) Show SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccccc3Cl)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:30| Show InChI InChI=1S/C43H64ClNO4/c1-38(2)22-24-43(19-11-10-14-36(47)45-32(37(48)49)26-28-12-8-9-13-31(28)44)25-23-41(6)29(30(43)27-38)15-16-34-40(5)20-18-35(46)39(3,4)33(40)17-21-42(34,41)7/h8-9,12-13,15,30,32-35,46H,10-11,14,16-27H2,1-7H3,(H,45,47)(H,48,49)/t30-,32?,33-,34+,35-,40-,41+,42+,43+/m0/s1	PDB MMDB NCI pathway 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	560	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) by pNPP assay				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50246658 (3-(2-chlorophenyl)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR...) Show SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccccc3Cl)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:30| Show InChI InChI=1S/C43H64ClNO4/c1-38(2)22-24-43(19-11-10-14-36(47)45-32(37(48)49)26-28-12-8-9-13-31(28)44)25-23-41(6)29(30(43)27-38)15-16-34-40(5)20-18-35(46)39(3,4)33(40)17-21-42(34,41)7/h8-9,12-13,15,30,32-35,46H,10-11,14,16-27H2,1-7H3,(H,45,47)(H,48,49)/t30-,32?,33-,34+,35-,40-,41+,42+,43+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of HIV1 His6-tagged integrase-human GST tagged LEDGF/p75 (373-442 residues) interaction after 30 mins by AlphaScreen assay				J Med Chem 55: 10108-17 (2012) Article DOI: 10.1021/jm301226a BindingDB Entry DOI: 10.7270/Q2028VFH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50246658 (3-(2-chlorophenyl)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR...) Show SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccccc3Cl)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:30| Show InChI InChI=1S/C43H64ClNO4/c1-38(2)22-24-43(19-11-10-14-36(47)45-32(37(48)49)26-28-12-8-9-13-31(28)44)25-23-41(6)29(30(43)27-38)15-16-34-40(5)20-18-35(46)39(3,4)33(40)17-21-42(34,41)7/h8-9,12-13,15,30,32-35,46H,10-11,14,16-27H2,1-7H3,(H,45,47)(H,48,49)/t30-,32?,33-,34+,35-,40-,41+,42+,43+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin) by pNPP assay				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
					More data for this Ligand-Target Pair