BDBM50519160 CHEMBL4468357

SMILES: Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1

InChI Key: InChIKey=BXOSGYRJKCYDLH-YAYCEGLDSA-N

Data: 1 KI  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 7 hits for monomerid = 50519160   

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
ITGAV/ITGB6 (Homo sapiens (Human))	BDBM50519160 (CHEMBL4468357) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r| Show InChI InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta6 (unknown origin) by radioligand binding assay				J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50519160 (CHEMBL4468357) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r| Show InChI InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells at -80 mV holding potential by IonWorks barracuda automated electrophysiology method				J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819
					More data for this Ligand-Target Pair
ITGAV/ITGB6 (Homo sapiens (Human))	BDBM50519160 (CHEMBL4468357) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r| Show InChI InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta6 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amin...				J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819
					More data for this Ligand-Target Pair
ITGAV/ITGB1 (Homo sapiens (Human))	BDBM50519160 (CHEMBL4468357) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r| Show InChI InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta1 (unknown origin) expressed in human A549 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amin...				J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819
					More data for this Ligand-Target Pair
ITGAV/ITGB8 (Homo sapiens (Human))	BDBM50519160 (CHEMBL4468357) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r| Show InChI InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta8 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amin...				J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819
					More data for this Ligand-Target Pair
ITGAV/ITGB5 (Homo sapiens (Human))	BDBM50519160 (CHEMBL4468357) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r| Show InChI InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to human vitronectin incubat...				J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50519160 (CHEMBL4468357) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r| Show InChI InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amin...				J Med Chem 62: 7543-7556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00819
					More data for this Ligand-Target Pair